AV18609
54839-12-2 | 1-(4-Chlorophenyl)-2-cyclopropylethanone
Manufacturer: A2B Chem
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CatalogNumber
AV18609
ChemicalName
1-(4-Chlorophenyl)-2-cyclopropylethanone
CasNumber
54839-12-2
MolecularFormula
C11H11ClO
MolecularWeight
194.6574
MdlNumber
MFCD16665463
Smiles
O=C(c1ccc(cc1)Cl)CC1CC1
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
3.3
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CatalogNumber: AV18609
ChemicalName: 1-(4-Chlorophenyl)-2-cyclopropylethanone
CasNumber: 54839-12-2
MolecularFormula: C11H11ClO
MolecularWeight: 194.6574
MdlNumber: MFCD16665463
Smiles: O=C(c1ccc(cc1)Cl)CC1CC1
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AV18609
ChemicalName:
1-(4-Chlorophenyl)-2-cyclopropylethanone
CasNumber:
54839-12-2
MolecularFormula:
C11H11ClO
MolecularWeight:
194.6574
MdlNumber:
MFCD16665463
Smiles:
O=C(c1ccc(cc1)Cl)CC1CC1
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCCN(c1c(oc2c1cc(Br)cc2)C(=O)c1ccc(nc1)F)C(=O)OCC
Complexity: 598
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.4
CatalogNumber:
__
ChemicalName:
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MolecularFormula:
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Smiles:
COCCCN(c1c(oc2c1cc(Br)cc2)C(=O)c1ccc(nc1)F)C(=O)OCC
Complexity:
598
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.4
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)F)C
Complexity: 390
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)F)C
Complexity:
390
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C[C@@H]1C[N+]2(CCC1C[C@H]2[C@@H](c1ccnc2c1cccc2)O)Cc1ccc(cc1)C(F)(F)F.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
C=C[C@@H]1C[N+]2(CCC1C[C@H]2[C@@H](c1ccnc2c1cccc2)O)Cc1ccc(cc1)C(F)(F)F.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__