AA36491
1261998-46-2 | 4-(4-Chloro-3-methoxycarbonylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36491
ChemicalName
4-(4-Chloro-3-methoxycarbonylphenyl)benzoic acid
CasNumber
1261998-46-2
MolecularFormula
C15H10ClO4
MolecularWeight
289.6905
MdlNumber
MFCD18312737
Smiles
COC(=O)c1cc(ccc1Cl)c1ccc(cc1)C(=O)[O-]
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AA36491
ChemicalName: 4-(4-Chloro-3-methoxycarbonylphenyl)benzoic acid
CasNumber: 1261998-46-2
MolecularFormula: C15H10ClO4
MolecularWeight: 289.6905
MdlNumber: MFCD18312737
Smiles: COC(=O)c1cc(ccc1Cl)c1ccc(cc1)C(=O)[O-]
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AA36491
ChemicalName:
4-(4-Chloro-3-methoxycarbonylphenyl)benzoic acid
CasNumber:
1261998-46-2
MolecularFormula:
C15H10ClO4
MolecularWeight:
289.6905
MdlNumber:
MFCD18312737
Smiles:
COC(=O)c1cc(ccc1Cl)c1ccc(cc1)C(=O)[O-]
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(c(c1)c1ccc(cc1)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(c(c1)c1ccc(cc1)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36493
ChemicalName: 4-(4-Fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CasNumber: 1261998-28-0
MolecularFormula: C15H13FO3
MolecularWeight: 260.2603
MdlNumber: MFCD18320658
Smiles: COc1cc(ccc1F)c1ccc(cc1C)C(=O)O
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AA36493
ChemicalName:
4-(4-Fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CasNumber:
1261998-28-0
MolecularFormula:
C15H13FO3
MolecularWeight:
260.2603
MdlNumber:
MFCD18320658
Smiles:
COc1cc(ccc1F)c1ccc(cc1C)C(=O)O
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: AA36494
ChemicalName: 3-(3-Acetylphenyl)-5-fluorobenzoic acid
CasNumber: 1261996-91-1
MolecularFormula: C15H11FO3
MolecularWeight: 258.2444
MdlNumber: MFCD18320101
Smiles: Fc1cc(cc(c1)c1cccc(c1)C(=O)C)C(=O)O
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AA36494
ChemicalName:
3-(3-Acetylphenyl)-5-fluorobenzoic acid
CasNumber:
1261996-91-1
MolecularFormula:
C15H11FO3
MolecularWeight:
258.2444
MdlNumber:
MFCD18320101
Smiles:
Fc1cc(cc(c1)c1cccc(c1)C(=O)C)C(=O)O
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9