AB65331
3113-71-1 | 3-Methyl-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65331
ChemicalName
3-Methyl-4-nitrobenzoic acid
CasNumber
3113-71-1
MolecularFormula
C8H7NO4
MolecularWeight
181.14548000000002
MdlNumber
MFCD00007168
Smiles
OC(=O)c1ccc(c(c1)C)N(=O)=O
NscNumber
28455
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB65331
ChemicalName: 3-Methyl-4-nitrobenzoic acid
CasNumber: 3113-71-1
MolecularFormula: C8H7NO4
MolecularWeight: 181.14548000000002
MdlNumber: MFCD00007168
Smiles: OC(=O)c1ccc(c(c1)C)N(=O)=O
NscNumber: 28455
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB65331
ChemicalName:
3-Methyl-4-nitrobenzoic acid
CasNumber:
3113-71-1
MolecularFormula:
C8H7NO4
MolecularWeight:
181.14548000000002
MdlNumber:
MFCD00007168
Smiles:
OC(=O)c1ccc(c(c1)C)N(=O)=O
NscNumber:
28455
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: AB65332
ChemicalName: 3-Methyl-4-nitrobenzonitrile
CasNumber: 96784-54-2
MolecularFormula: C8H6N2O2
MolecularWeight: 162.1454
MdlNumber: MFCD00017615
Smiles: N#Cc1ccc(c(c1)C)[N+](=O)[O-]
NscNumber: __
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
AB65332
ChemicalName:
3-Methyl-4-nitrobenzonitrile
CasNumber:
96784-54-2
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.1454
MdlNumber:
MFCD00017615
Smiles:
N#Cc1ccc(c(c1)C)[N+](=O)[O-]
NscNumber:
__
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(c(c1)C)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(c(c1)C)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)CC(CC(=O)OCC)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)CC(CC(=O)OCC)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__