AE62482
1393442-55-1 | 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzonitrile
Manufacturer: A2B Chem
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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
RotatableBondCount
1
Xlogp3
4.1
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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
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
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
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
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
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
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AE62485
ChemicalName: 2-Chloro-5-(3-methoxycarbonylphenyl)benzoic acid
CasNumber: 1262009-62-0
MolecularFormula: C15H11ClO4
MolecularWeight: 290.6984
MdlNumber: MFCD18321210
Smiles: COC(=O)c1cccc(c1)c1ccc(c(c1)C(=O)O)Cl
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AE62485
ChemicalName:
2-Chloro-5-(3-methoxycarbonylphenyl)benzoic acid
CasNumber:
1262009-62-0
MolecularFormula:
C15H11ClO4
MolecularWeight:
290.6984
MdlNumber:
MFCD18321210
Smiles:
COC(=O)c1cccc(c1)c1ccc(c(c1)C(=O)O)Cl
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.6