AC54845
77557-01-8 | 1-Propyl-3H-1,3-benzodiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AC54845
ChemicalName
1-Propyl-3H-1,3-benzodiazol-2-one
CasNumber
77557-01-8
MolecularFormula
C10H12N2O
MolecularWeight
176.2151
MdlNumber
MFCD02707887
Smiles
CCCn1c(=O)[nH]c2c1cccc2
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AC54845
ChemicalName: 1-Propyl-3H-1,3-benzodiazol-2-one
CasNumber: 77557-01-8
MolecularFormula: C10H12N2O
MolecularWeight: 176.2151
MdlNumber: MFCD02707887
Smiles: CCCn1c(=O)[nH]c2c1cccc2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AC54845
ChemicalName:
1-Propyl-3H-1,3-benzodiazol-2-one
CasNumber:
77557-01-8
MolecularFormula:
C10H12N2O
MolecularWeight:
176.2151
MdlNumber:
MFCD02707887
Smiles:
CCCn1c(=O)[nH]c2c1cccc2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)N1CCC(CC1)CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)N1CCC(CC1)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__