AB42001
3095-38-3 | 3,5-Dimethyl-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB42001
ChemicalName
3,5-Dimethyl-4-nitrobenzoic acid
CasNumber
3095-38-3
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD00014699
Smiles
[O-][N+](=O)c1c(C)cc(cc1C)C(=O)O
NscNumber
67705
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB42001
ChemicalName: 3,5-Dimethyl-4-nitrobenzoic acid
CasNumber: 3095-38-3
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00014699
Smiles: [O-][N+](=O)c1c(C)cc(cc1C)C(=O)O
NscNumber: 67705
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB42001
ChemicalName:
3,5-Dimethyl-4-nitrobenzoic acid
CasNumber:
3095-38-3
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00014699
Smiles:
[O-][N+](=O)c1c(C)cc(cc1C)C(=O)O
NscNumber:
67705
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AB42003
ChemicalName: Iron(II) acetate
CasNumber: 3094-87-9
MolecularFormula: C4H6FeO4
MolecularWeight: 173.933
MdlNumber: MFCD00058909
Smiles: [O-]C(=O)C.[O-]C(=O)C.[Fe+2]
NscNumber: __
Complexity: 25.5
Covalently-bondedUnitCount: 3
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB42003
ChemicalName:
Iron(II) acetate
CasNumber:
3094-87-9
MolecularFormula:
C4H6FeO4
MolecularWeight:
173.933
MdlNumber:
MFCD00058909
Smiles:
[O-]C(=O)C.[O-]C(=O)C.[Fe+2]
NscNumber:
__
Complexity:
25.5
Covalently-bondedUnitCount:
3
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NC(=Cc1ccccc1C(F)(F)F)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NC(=Cc1ccccc1C(F)(F)F)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1ccc(c2c1cccc2)F
NscNumber: __
Complexity: 172
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCc1ccc(c2c1cccc2)F
NscNumber:
__
Complexity:
172
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7