AA36494
1261996-91-1 | 3-(3-Acetylphenyl)-5-fluorobenzoic acid
Manufacturer: A2B Chem
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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
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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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(cc(c1)C(=O)O)c1ccccc1S(=O)(=O)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(cc(c1)C(=O)O)c1ccccc1S(=O)(=O)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36496
ChemicalName: 4-(4-Chlorophenyl)-2-hydroxybenzoic acid
CasNumber: 1261995-96-3
MolecularFormula: C13H9ClO3
MolecularWeight: 248.6618
MdlNumber: MFCD18319925
Smiles: Clc1ccc(cc1)c1ccc(c(c1)O)C(=O)O
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 4.9
CatalogNumber:
AA36496
ChemicalName:
4-(4-Chlorophenyl)-2-hydroxybenzoic acid
CasNumber:
1261995-96-3
MolecularFormula:
C13H9ClO3
MolecularWeight:
248.6618
MdlNumber:
MFCD18319925
Smiles:
Clc1ccc(cc1)c1ccc(c(c1)O)C(=O)O
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
4.9
CatalogNumber: AA36497
ChemicalName: 1-(3,5-Dibromophenyl)piperidine
CasNumber: 1261995-07-6
MolecularFormula: C11H13Br2N
MolecularWeight: 319.0356
MdlNumber: MFCD18311874
Smiles: Brc1cc(cc(c1)Br)N1CCCCC1
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AA36497
ChemicalName:
1-(3,5-Dibromophenyl)piperidine
CasNumber:
1261995-07-6
MolecularFormula:
C11H13Br2N
MolecularWeight:
319.0356
MdlNumber:
MFCD18311874
Smiles:
Brc1cc(cc(c1)Br)N1CCCCC1
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.3