AD25474
1352318-49-0 | 4-(3-Chloro-4-methylphenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD25474
ChemicalName
4-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber
1352318-49-0
MolecularFormula
C14H10ClN
MolecularWeight
227.6889
MdlNumber
MFCD20529466
Smiles
N#Cc1ccc(cc1)c1ccc(c(c1)Cl)C
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
4.3
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CatalogNumber: AD25474
ChemicalName: 4-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber: 1352318-49-0
MolecularFormula: C14H10ClN
MolecularWeight: 227.6889
MdlNumber: MFCD20529466
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)Cl)C
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AD25474
ChemicalName:
4-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber:
1352318-49-0
MolecularFormula:
C14H10ClN
MolecularWeight:
227.6889
MdlNumber:
MFCD20529466
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)Cl)C
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(F)cc(c1)c1ccccc1C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(F)cc(c1)c1ccccc1C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD25476
ChemicalName: 2-Fluoro-4-(4-nitrophenyl)benzoic acid
CasNumber: 1352318-47-8
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD20491438
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AD25476
ChemicalName:
2-Fluoro-4-(4-nitrophenyl)benzoic acid
CasNumber:
1352318-47-8
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD20491438
Smiles:
[O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1c(C)cccc1N
Complexity: 116
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1c(C)cccc1N
Complexity:
116
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9