AB67807
89-41-8 | 4-Methoxy-3-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67807
ChemicalName
4-Methoxy-3-nitrobenzoic acid
CasNumber
89-41-8
MolecularFormula
C8H7NO5
MolecularWeight
197.14488000000003
MdlNumber
MFCD00007256
Smiles
COc1ccc(cc1[N+](=O)[O-])C(=O)O
NscNumber
29085
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AB67807
ChemicalName: 4-Methoxy-3-nitrobenzoic acid
CasNumber: 89-41-8
MolecularFormula: C8H7NO5
MolecularWeight: 197.14488000000003
MdlNumber: MFCD00007256
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)O
NscNumber: 29085
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB67807
ChemicalName:
4-Methoxy-3-nitrobenzoic acid
CasNumber:
89-41-8
MolecularFormula:
C8H7NO5
MolecularWeight:
197.14488000000003
MdlNumber:
MFCD00007256
Smiles:
COc1ccc(cc1[N+](=O)[O-])C(=O)O
NscNumber:
29085
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AB67808
ChemicalName: 2-Nitro-4-(trifluoromethyl)anisole
CasNumber: 394-25-2
MolecularFormula: C8H6F3NO3
MolecularWeight: 221.13334959999997
MdlNumber: MFCD00007099
Smiles: COc1ccc(cc1N(=O)=O)C(F)(F)F
NscNumber: 88325
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB67808
ChemicalName:
2-Nitro-4-(trifluoromethyl)anisole
CasNumber:
394-25-2
MolecularFormula:
C8H6F3NO3
MolecularWeight:
221.13334959999997
MdlNumber:
MFCD00007099
Smiles:
COc1ccc(cc1N(=O)=O)C(F)(F)F
NscNumber:
88325
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1[N+](=O)[O-])CO
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1[N+](=O)[O-])CO
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB67810
ChemicalName: 4-Methoxy-3-pyrrolin-2-one
CasNumber: 69778-83-2
MolecularFormula: C5H7NO2
MolecularWeight: 113.1146
MdlNumber: MFCD00071564
Smiles: COC1=CC(=O)NC1
NscNumber: __
Complexity: 139
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.7
CatalogNumber:
AB67810
ChemicalName:
4-Methoxy-3-pyrrolin-2-one
CasNumber:
69778-83-2
MolecularFormula:
C5H7NO2
MolecularWeight:
113.1146
MdlNumber:
MFCD00071564
Smiles:
COC1=CC(=O)NC1
NscNumber:
__
Complexity:
139
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.7