AB71071
538-32-9 | Benzylurea
Manufacturer: A2B Chem
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CatalogNumber
AB71071
ChemicalName
Benzylurea
CasNumber
538-32-9
MolecularFormula
C8H10N2O
MolecularWeight
150.1778
MdlNumber
MFCD00007951
Smiles
NC(=O)NCc1ccccc1
NscNumber
109103
Complexity
130
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AB71071
ChemicalName: Benzylurea
CasNumber: 538-32-9
MolecularFormula: C8H10N2O
MolecularWeight: 150.1778
MdlNumber: MFCD00007951
Smiles: NC(=O)NCc1ccccc1
NscNumber: 109103
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB71071
ChemicalName:
Benzylurea
CasNumber:
538-32-9
MolecularFormula:
C8H10N2O
MolecularWeight:
150.1778
MdlNumber:
MFCD00007951
Smiles:
NC(=O)NCc1ccccc1
NscNumber:
109103
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
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Smiles: Nc1cccc2c1C1Cc3ccccc3CN1CC2.Cl.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
Nc1cccc2c1C1Cc3ccccc3CN1CC2.Cl.Cl
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: [O-]S(=O)(=O)[O-].COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1.COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-]S(=O)(=O)[O-].COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1.COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularWeight: __
MdlNumber: __
Smiles: CC(NC(=O)N(C)C)COC(=O)C=CC(=O)OC(C)C.CC(NC(=O)Nc1ccccc1)COC(=O)C=CC(=O)OC(C)C.O=C(C=CC(=O)OC(C)C)OCC(NC(=O)NCc1ccccc1)C.CC(OC(=O)C=CC(=O)OCC(N(C(=O)N(C)C)C)C)C.CCN(C(=O)N(C(COC(=O)C=CC(=O)OC(C)C)C)CC)CC.CCN(C(=O)NC(COC(=O)C=CC(=O)OC(C)C)C)CC.CCNC(=O)N(C(COC(=O)C=CC(=O)OC(C)C)C)CC.CCNC(=O)N(C(COC(=O)C=CC(=O)OC(C)C)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(NC(=O)N(C)C)COC(=O)C=CC(=O)OC(C)C.CC(NC(=O)Nc1ccccc1)COC(=O)C=CC(=O)OC(C)C.O=C(C=CC(=O)OC(C)C)OCC(NC(=O)NCc1ccccc1)C.CC(OC(=O)C=CC(=O)OCC(N(C(=O)N(C)C)C)C)C.CCN(C(=O)N(C(COC(=O)C=CC(=O)OC(C)C)C)CC)CC.CCN(C(=O)NC(COC(=O)C=CC(=O)OC(C)C)C)CC.CCNC(=O)N(C(COC(=O)C=CC(=O)OC(C)C)C)CC.CCNC(=O)N(C(COC(=O)C=CC(=O)OC(C)C)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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