AC49527
7356-52-7 | 3-Acetamido-4-methyl-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC49527
ChemicalName
3-Acetamido-4-methyl-2-nitrobenzoic acid
CasNumber
7356-52-7
MolecularFormula
C10H10N2O5
MolecularWeight
238.1968
MdlNumber
MFCD00755098
Smiles
CC(=O)Nc1c(C)ccc(c1[N+](=O)[O-])C(=O)O
NscNumber
53197
Complexity
338
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AC49527
ChemicalName: 3-Acetamido-4-methyl-2-nitrobenzoic acid
CasNumber: 7356-52-7
MolecularFormula: C10H10N2O5
MolecularWeight: 238.1968
MdlNumber: MFCD00755098
Smiles: CC(=O)Nc1c(C)ccc(c1[N+](=O)[O-])C(=O)O
NscNumber: 53197
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AC49527
ChemicalName:
3-Acetamido-4-methyl-2-nitrobenzoic acid
CasNumber:
7356-52-7
MolecularFormula:
C10H10N2O5
MolecularWeight:
238.1968
MdlNumber:
MFCD00755098
Smiles:
CC(=O)Nc1c(C)ccc(c1[N+](=O)[O-])C(=O)O
NscNumber:
53197
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
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Smiles: n1ccc(cc1)C#Cc1ccncc1
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
n1ccc(cc1)C#Cc1ccncc1
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C1N=C(SC1=Cc1ccc2c(c1)cccc2)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1N=C(SC1=Cc1ccc2c(c1)cccc2)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1)C#Cc1cccnc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)C#Cc1cccnc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__