AA36507
1261991-55-2 | 5-(3-Acetylphenyl)-2-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36507
ChemicalName
5-(3-Acetylphenyl)-2-fluorobenzoic acid
CasNumber
1261991-55-2
MolecularFormula
C15H11FO3
MolecularWeight
258.2444
MdlNumber
MFCD18320100
Smiles
CC(=O)c1cccc(c1)c1ccc(c(c1)C(=O)O)F
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AA36507
ChemicalName: 5-(3-Acetylphenyl)-2-fluorobenzoic acid
CasNumber: 1261991-55-2
MolecularFormula: C15H11FO3
MolecularWeight: 258.2444
MdlNumber: MFCD18320100
Smiles: CC(=O)c1cccc(c1)c1ccc(c(c1)C(=O)O)F
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AA36507
ChemicalName:
5-(3-Acetylphenyl)-2-fluorobenzoic acid
CasNumber:
1261991-55-2
MolecularFormula:
C15H11FO3
MolecularWeight:
258.2444
MdlNumber:
MFCD18320100
Smiles:
CC(=O)c1cccc(c1)c1ccc(c(c1)C(=O)O)F
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1cccc(c1)c1cc(ccc1F)C(=O)O
Complexity: 355
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1cccc(c1)c1cc(ccc1F)C(=O)O
Complexity:
355
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AA36509
ChemicalName: 2-Chloro-4-(4-methylsulfonylphenyl)phenol
CasNumber: 1261991-24-5
MolecularFormula: C13H11ClO3S
MolecularWeight: 282.7426
MdlNumber: MFCD18315763
Smiles: Oc1ccc(cc1Cl)c1ccc(cc1)S(=O)(=O)C
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AA36509
ChemicalName:
2-Chloro-4-(4-methylsulfonylphenyl)phenol
CasNumber:
1261991-24-5
MolecularFormula:
C13H11ClO3S
MolecularWeight:
282.7426
MdlNumber:
MFCD18315763
Smiles:
Oc1ccc(cc1Cl)c1ccc(cc1)S(=O)(=O)C
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1)Br)OC(C)(C)C
Complexity: 165
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1)Br)OC(C)(C)C
Complexity:
165
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.3