AA36191
1261892-79-8 | 3-(2-Chloro-5-methoxyphenyl)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36191
ChemicalName
3-(2-Chloro-5-methoxyphenyl)-5-nitrobenzoic acid
CasNumber
1261892-79-8
MolecularFormula
C14H10ClNO5
MolecularWeight
307.6859
MdlNumber
MFCD18321637
Smiles
COc1ccc(c(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-])Cl
Complexity
399
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AA36191
ChemicalName: 3-(2-Chloro-5-methoxyphenyl)-5-nitrobenzoic acid
CasNumber: 1261892-79-8
MolecularFormula: C14H10ClNO5
MolecularWeight: 307.6859
MdlNumber: MFCD18321637
Smiles: COc1ccc(c(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-])Cl
Complexity: 399
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AA36191
ChemicalName:
3-(2-Chloro-5-methoxyphenyl)-5-nitrobenzoic acid
CasNumber:
1261892-79-8
MolecularFormula:
C14H10ClNO5
MolecularWeight:
307.6859
MdlNumber:
MFCD18321637
Smiles:
COc1ccc(c(c1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-])Cl
Complexity:
399
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: AA36192
ChemicalName: 3-(3,5-Dimethylphenyl)-2-methylbenzoic acid
CasNumber: 1261892-78-7
MolecularFormula: C16H16O2
MolecularWeight: 240.297
MdlNumber: MFCD18319362
Smiles: Cc1cc(C)cc(c1)c1cccc(c1C)C(=O)O
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AA36192
ChemicalName:
3-(3,5-Dimethylphenyl)-2-methylbenzoic acid
CasNumber:
1261892-78-7
MolecularFormula:
C16H16O2
MolecularWeight:
240.297
MdlNumber:
MFCD18319362
Smiles:
Cc1cc(C)cc(c1)c1cccc(c1C)C(=O)O
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.2
CatalogNumber: AA36193
ChemicalName: 2-Chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CasNumber: 1261892-14-1
MolecularFormula: C14H10ClFO3
MolecularWeight: 280.6788
MdlNumber: MFCD18320679
Smiles: COc1cc(ccc1F)c1ccc(c(c1)Cl)C(=O)O
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AA36193
ChemicalName:
2-Chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CasNumber:
1261892-14-1
MolecularFormula:
C14H10ClFO3
MolecularWeight:
280.6788
MdlNumber:
MFCD18320679
Smiles:
COc1cc(ccc1F)c1ccc(c(c1)Cl)C(=O)O
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.8
CatalogNumber: AA36194
ChemicalName: 2-Chloro-4-(3-fluoro-4-methoxyphenyl)phenol
CasNumber: 1261892-00-5
MolecularFormula: C13H10ClFO2
MolecularWeight: 252.6687
MdlNumber: MFCD18315600
Smiles: COc1ccc(cc1F)c1ccc(c(c1)Cl)O
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA36194
ChemicalName:
2-Chloro-4-(3-fluoro-4-methoxyphenyl)phenol
CasNumber:
1261892-00-5
MolecularFormula:
C13H10ClFO2
MolecularWeight:
252.6687
MdlNumber:
MFCD18315600
Smiles:
COc1ccc(cc1F)c1ccc(c(c1)Cl)O
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.9