AD72626
1352318-35-4 | 2-(3-Chloro-4-fluorophenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD72626
ChemicalName
2-(3-Chloro-4-fluorophenyl)benzonitrile
CasNumber
1352318-35-4
MolecularFormula
C13H7ClFN
MolecularWeight
231.6528
MdlNumber
MFCD20529504
Smiles
N#Cc1ccccc1c1ccc(c(c1)Cl)F
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
4.4
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CatalogNumber: AD72626
ChemicalName: 2-(3-Chloro-4-fluorophenyl)benzonitrile
CasNumber: 1352318-35-4
MolecularFormula: C13H7ClFN
MolecularWeight: 231.6528
MdlNumber: MFCD20529504
Smiles: N#Cc1ccccc1c1ccc(c(c1)Cl)F
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 4.4
CatalogNumber:
AD72626
ChemicalName:
2-(3-Chloro-4-fluorophenyl)benzonitrile
CasNumber:
1352318-35-4
MolecularFormula:
C13H7ClFN
MolecularWeight:
231.6528
MdlNumber:
MFCD20529504
Smiles:
N#Cc1ccccc1c1ccc(c(c1)Cl)F
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)CNc1nccc(c1)N1CCCC1
Complexity: 257
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)CNc1nccc(c1)N1CCCC1
Complexity:
257
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccccc1c1ccc(c(c1)C)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccccc1c1ccc(c(c1)C)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD72629
ChemicalName: 3-(2-Cyanophenyl)-5-fluorobenzoic acid
CasNumber: 1352317-82-8
MolecularFormula: C14H8FNO2
MolecularWeight: 241.2172
MdlNumber: MFCD20529461
Smiles: N#Cc1ccccc1c1cc(F)cc(c1)C(=O)O
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AD72629
ChemicalName:
3-(2-Cyanophenyl)-5-fluorobenzoic acid
CasNumber:
1352317-82-8
MolecularFormula:
C14H8FNO2
MolecularWeight:
241.2172
MdlNumber:
MFCD20529461
Smiles:
N#Cc1ccccc1c1cc(F)cc(c1)C(=O)O
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.9