AE61984
1355247-96-9 | 4-(2-Acetylphenyl)-2-chlorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE61984
ChemicalName
4-(2-Acetylphenyl)-2-chlorobenzoic acid
CasNumber
1355247-96-9
MolecularFormula
C15H11ClO3
MolecularWeight
274.699
MdlNumber
MFCD21333023
Smiles
OC(=O)c1ccc(cc1Cl)c1ccccc1C(=O)C
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AE61984
ChemicalName: 4-(2-Acetylphenyl)-2-chlorobenzoic acid
CasNumber: 1355247-96-9
MolecularFormula: C15H11ClO3
MolecularWeight: 274.699
MdlNumber: MFCD21333023
Smiles: OC(=O)c1ccc(cc1Cl)c1ccccc1C(=O)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AE61984
ChemicalName:
4-(2-Acetylphenyl)-2-chlorobenzoic acid
CasNumber:
1355247-96-9
MolecularFormula:
C15H11ClO3
MolecularWeight:
274.699
MdlNumber:
MFCD21333023
Smiles:
OC(=O)c1ccc(cc1Cl)c1ccccc1C(=O)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: AE61985
ChemicalName: 1-Bromo-2-(cyclohexanesulfonyl)benzene
CasNumber: 1355247-43-6
MolecularFormula: C12H15BrO2S
MolecularWeight: 303.2153
MdlNumber: MFCD21332958
Smiles: Brc1ccccc1S(=O)(=O)C1CCCCC1
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AE61985
ChemicalName:
1-Bromo-2-(cyclohexanesulfonyl)benzene
CasNumber:
1355247-43-6
MolecularFormula:
C12H15BrO2S
MolecularWeight:
303.2153
MdlNumber:
MFCD21332958
Smiles:
Brc1ccccc1S(=O)(=O)C1CCCCC1
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: AE61986
ChemicalName: 2-Chloro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber: 1355248-24-6
MolecularFormula: C14H10ClNS
MolecularWeight: 259.7539
MdlNumber: MFCD21333028
Smiles: CSc1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AE61986
ChemicalName:
2-Chloro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber:
1355248-24-6
MolecularFormula:
C14H10ClNS
MolecularWeight:
259.7539
MdlNumber:
MFCD21333028
Smiles:
CSc1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1F)c1ccccc1N
Complexity: 224
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1F)c1ccccc1N
Complexity:
224
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9