AB71684
495-40-9 | Butyrophenone
Manufacturer: A2B Chem
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CatalogNumber
AB71684
ChemicalName
Butyrophenone
CasNumber
495-40-9
MolecularFormula
C10H12O
MolecularWeight
148.20168
MdlNumber
MFCD00009397
Smiles
CCCC(=O)c1ccccc1
NscNumber
8463
Complexity
123
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AB71684
ChemicalName: Butyrophenone
CasNumber: 495-40-9
MolecularFormula: C10H12O
MolecularWeight: 148.20168
MdlNumber: MFCD00009397
Smiles: CCCC(=O)c1ccccc1
NscNumber: 8463
Complexity: 123
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB71684
ChemicalName:
Butyrophenone
CasNumber:
495-40-9
MolecularFormula:
C10H12O
MolecularWeight:
148.20168
MdlNumber:
MFCD00009397
Smiles:
CCCC(=O)c1ccccc1
NscNumber:
8463
Complexity:
123
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AB71685
ChemicalName: 5-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile
CasNumber: 193542-65-3
MolecularFormula: C28H30Cl2N2O
MolecularWeight: 481.4566
MdlNumber: MFCD09971135
Smiles: N#CC(c1ccccc1)(c1ccccc1)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl.Cl
NscNumber: __
Complexity: 597
Covalently-bondedUnitCount: 2
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 3
RotatableBondCount: 7
Xlogp3: __
CatalogNumber:
AB71685
ChemicalName:
5-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile
CasNumber:
193542-65-3
MolecularFormula:
C28H30Cl2N2O
MolecularWeight:
481.4566
MdlNumber:
MFCD09971135
Smiles:
N#CC(c1ccccc1)(c1ccccc1)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl.Cl
NscNumber:
__
Complexity:
597
Covalently-bondedUnitCount:
2
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
3
RotatableBondCount:
7
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1/C(=N/Nc2ccc(c3c2cccc3)S(=O)(=O)[O-])/C=C(c2c1cccc2)S(=O)(=O)[O-].[Na+].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1/C(=N/Nc2ccc(c3c2cccc3)S(=O)(=O)[O-])/C=C(c2c1cccc2)S(=O)(=O)[O-].[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB71687
ChemicalName: 4-((4-Chloro-2-nitrophenyl)diazenyl)-3-hydroxy-N-(o-tolyl)-2-naphthamide
CasNumber: 6471-50-7
MolecularFormula: C24H17ClN4O4
MolecularWeight: 460.8692
MdlNumber: MFCD00071984
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1C
NscNumber: __
Complexity: 732
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 6.8
CatalogNumber:
AB71687
ChemicalName:
4-((4-Chloro-2-nitrophenyl)diazenyl)-3-hydroxy-N-(o-tolyl)-2-naphthamide
CasNumber:
6471-50-7
MolecularFormula:
C24H17ClN4O4
MolecularWeight:
460.8692
MdlNumber:
MFCD00071984
Smiles:
Clc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1C
NscNumber:
__
Complexity:
732
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
6.8