AF56201
35704-19-9 | 4-Acetamidobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF56201
ChemicalName
4-Acetamidobenzonitrile
CasNumber
35704-19-9
MolecularFormula
C9H8N2O
MolecularWeight
160.1726
MdlNumber
MFCD00001814
Smiles
N#Cc1ccc(cc1)NC(=O)C
NscNumber
88010
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AF56201
ChemicalName: 4-Acetamidobenzonitrile
CasNumber: 35704-19-9
MolecularFormula: C9H8N2O
MolecularWeight: 160.1726
MdlNumber: MFCD00001814
Smiles: N#Cc1ccc(cc1)NC(=O)C
NscNumber: 88010
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AF56201
ChemicalName:
4-Acetamidobenzonitrile
CasNumber:
35704-19-9
MolecularFormula:
C9H8N2O
MolecularWeight:
160.1726
MdlNumber:
MFCD00001814
Smiles:
N#Cc1ccc(cc1)NC(=O)C
NscNumber:
88010
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)C=C[C@]21C)F)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)C=C[C@]21C)F)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF56203
ChemicalName: Methyl 4-(chloromethyl)benzoate
CasNumber: 34040-64-7
MolecularFormula: C9H9ClO2
MolecularWeight: 184.61956000000004
MdlNumber: MFCD00511224
Smiles: ClCc1ccc(cc1)C(=O)OC
NscNumber: __
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AF56203
ChemicalName:
Methyl 4-(chloromethyl)benzoate
CasNumber:
34040-64-7
MolecularFormula:
C9H9ClO2
MolecularWeight:
184.61956000000004
MdlNumber:
MFCD00511224
Smiles:
ClCc1ccc(cc1)C(=O)OC
NscNumber:
__
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc(cc2c1ccc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].O
NscNumber: __
Complexity: 501
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(cc2c1ccc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].O
NscNumber:
__
Complexity:
501
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__