AA36417
1261967-52-5 | 3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36417
ChemicalName
3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid
CasNumber
1261967-52-5
MolecularFormula
C14H10ClNO4
MolecularWeight
291.6865
MdlNumber
MFCD18320737
Smiles
Cc1ccc(c(c1)Cl)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity
384
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.9
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CatalogNumber: AA36417
ChemicalName: 3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid
CasNumber: 1261967-52-5
MolecularFormula: C14H10ClNO4
MolecularWeight: 291.6865
MdlNumber: MFCD18320737
Smiles: Cc1ccc(c(c1)Cl)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity: 384
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA36417
ChemicalName:
3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid
CasNumber:
1261967-52-5
MolecularFormula:
C14H10ClNO4
MolecularWeight:
291.6865
MdlNumber:
MFCD18320737
Smiles:
Cc1ccc(c(c1)Cl)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity:
384
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.9
CatalogNumber: AA36418
ChemicalName: 3-(4-Fluoro-3-methoxyphenyl)-5-nitrobenzoic acid
CasNumber: 1261967-46-7
MolecularFormula: C14H10FNO5
MolecularWeight: 291.2313
MdlNumber: MFCD18320685
Smiles: COc1cc(ccc1F)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity: 399
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AA36418
ChemicalName:
3-(4-Fluoro-3-methoxyphenyl)-5-nitrobenzoic acid
CasNumber:
1261967-46-7
MolecularFormula:
C14H10FNO5
MolecularWeight:
291.2313
MdlNumber:
MFCD18320685
Smiles:
COc1cc(ccc1F)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity:
399
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AA36419
ChemicalName: 3-(4-Methylthiophenyl)-5-nitrobenzoic acid
CasNumber: 1261966-64-6
MolecularFormula: C14H11NO4S
MolecularWeight: 289.3064
MdlNumber: MFCD18320542
Smiles: CSc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AA36419
ChemicalName:
3-(4-Methylthiophenyl)-5-nitrobenzoic acid
CasNumber:
1261966-64-6
MolecularFormula:
C14H11NO4S
MolecularWeight:
289.3064
MdlNumber:
MFCD18320542
Smiles:
CSc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
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Smiles: O=C(c1cccc(c1)c1ccccc1O)N1CCCC1
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Smiles:
O=C(c1cccc(c1)c1ccccc1O)N1CCCC1
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