AB67924
27329-27-7 | 4-Methyl-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67924
ChemicalName
4-Methyl-2-nitrobenzoic acid
CasNumber
27329-27-7
MolecularFormula
C8H7NO4
MolecularWeight
181.1455
MdlNumber
MFCD00033899
Smiles
Cc1ccc(c(c1)[N+](=O)[O-])C(=O)O
NscNumber
80180
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB67924
ChemicalName: 4-Methyl-2-nitrobenzoic acid
CasNumber: 27329-27-7
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00033899
Smiles: Cc1ccc(c(c1)[N+](=O)[O-])C(=O)O
NscNumber: 80180
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB67924
ChemicalName:
4-Methyl-2-nitrobenzoic acid
CasNumber:
27329-27-7
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00033899
Smiles:
Cc1ccc(c(c1)[N+](=O)[O-])C(=O)O
NscNumber:
80180
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AB67925
ChemicalName: 4-Methyl-2-nitrobenzonitrile
CasNumber: 26830-95-5
MolecularFormula: C8H6N2O2
MolecularWeight: 162.1454
MdlNumber: MFCD00056107
Smiles: N#Cc1ccc(cc1[N+](=O)[O-])C
NscNumber: 60828
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AB67925
ChemicalName:
4-Methyl-2-nitrobenzonitrile
CasNumber:
26830-95-5
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.1454
MdlNumber:
MFCD00056107
Smiles:
N#Cc1ccc(cc1[N+](=O)[O-])C
NscNumber:
60828
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)[N+](=O)[O-])O
NscNumber: __
Complexity: 154
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)[N+](=O)[O-])O
NscNumber:
__
Complexity:
154
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C=Nc1ccc(cc1[N+](=O)[O-])C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C=Nc1ccc(cc1[N+](=O)[O-])C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__