AE62481
1214344-28-1 | 5-Chloro-3-(4-fluorophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62481
ChemicalName
5-Chloro-3-(4-fluorophenyl)benzoic acid
CasNumber
1214344-28-1
MolecularFormula
C13H8ClFO2
MolecularWeight
250.6528
MdlNumber
MFCD14701412
Smiles
Clc1cc(cc(c1)C(=O)O)c1ccc(cc1)F
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.8
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CatalogNumber: AE62481
ChemicalName: 5-Chloro-3-(4-fluorophenyl)benzoic acid
CasNumber: 1214344-28-1
MolecularFormula: C13H8ClFO2
MolecularWeight: 250.6528
MdlNumber: MFCD14701412
Smiles: Clc1cc(cc(c1)C(=O)O)c1ccc(cc1)F
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AE62481
ChemicalName:
5-Chloro-3-(4-fluorophenyl)benzoic acid
CasNumber:
1214344-28-1
MolecularFormula:
C13H8ClFO2
MolecularWeight:
250.6528
MdlNumber:
MFCD14701412
Smiles:
Clc1cc(cc(c1)C(=O)O)c1ccc(cc1)F
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.8
CatalogNumber: AE62482
ChemicalName: 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzonitrile
CasNumber: 1393442-55-1
MolecularFormula: C13H6ClF2N
MolecularWeight: 249.6432
MdlNumber: MFCD22383721
Smiles: N#Cc1ccc(cc1F)c1cc(F)cc(c1)Cl
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.1
CatalogNumber:
AE62482
ChemicalName:
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzonitrile
CasNumber:
1393442-55-1
MolecularFormula:
C13H6ClF2N
MolecularWeight:
249.6432
MdlNumber:
MFCD22383721
Smiles:
N#Cc1ccc(cc1F)c1cc(F)cc(c1)Cl
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.1
CatalogNumber: AE62483
ChemicalName: 5-Chloro-6-fluoro-[1,2,3,4]tetrazolo[1,5-a]pyridine-8-carbonitrile
CasNumber: 1393442-50-6
MolecularFormula: C6HClFN5
MolecularWeight: 197.557
MdlNumber: MFCD22383770
Smiles: N#Cc1cc(F)c(n2c1nnn2)Cl
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AE62483
ChemicalName:
5-Chloro-6-fluoro-[1,2,3,4]tetrazolo[1,5-a]pyridine-8-carbonitrile
CasNumber:
1393442-50-6
MolecularFormula:
C6HClFN5
MolecularWeight:
197.557
MdlNumber:
MFCD22383770
Smiles:
N#Cc1cc(F)c(n2c1nnn2)Cl
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AE62484
ChemicalName: 3-Chloro-4-(imidazol-1-yl)benzonitrile
CasNumber: 1341988-51-9
MolecularFormula: C10H6ClN3
MolecularWeight: 203.6277
MdlNumber: MFCD17291394
Smiles: N#Cc1ccc(c(c1)Cl)n1cncc1
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AE62484
ChemicalName:
3-Chloro-4-(imidazol-1-yl)benzonitrile
CasNumber:
1341988-51-9
MolecularFormula:
C10H6ClN3
MolecularWeight:
203.6277
MdlNumber:
MFCD17291394
Smiles:
N#Cc1ccc(c(c1)Cl)n1cncc1
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2