AG67258
5900-56-1 | 2-Acetamido-4-chlorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG67258
ChemicalName
2-Acetamido-4-chlorobenzoic acid
CasNumber
5900-56-1
MolecularFormula
C9H8ClNO3
MolecularWeight
213.6177
MdlNumber
MFCD02677863
Smiles
CC(=O)Nc1cc(Cl)ccc1C(=O)O
NscNumber
45787
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AG67258
ChemicalName: 2-Acetamido-4-chlorobenzoic acid
CasNumber: 5900-56-1
MolecularFormula: C9H8ClNO3
MolecularWeight: 213.6177
MdlNumber: MFCD02677863
Smiles: CC(=O)Nc1cc(Cl)ccc1C(=O)O
NscNumber: 45787
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AG67258
ChemicalName:
2-Acetamido-4-chlorobenzoic acid
CasNumber:
5900-56-1
MolecularFormula:
C9H8ClNO3
MolecularWeight:
213.6177
MdlNumber:
MFCD02677863
Smiles:
CC(=O)Nc1cc(Cl)ccc1C(=O)O
NscNumber:
45787
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccc(cc1)n1c(C)cc(c1C)C(=O)O
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Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: O[C@H]([C@H](C(=O)ON1C(=O)CCC1=O)O)C(=O)ON1C(=O)CCC1=O
NscNumber: __
Complexity: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
O[C@H]([C@H](C(=O)ON1C(=O)CCC1=O)O)C(=O)ON1C(=O)CCC1=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1cc(ccc1OC)C1=NC(CO1)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1OC)C1=NC(CO1)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__