AD25478
1352318-43-4 | 3-(3-Fluoro-4-methylphenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD25478
ChemicalName
3-(3-Fluoro-4-methylphenyl)benzonitrile
CasNumber
1352318-43-4
MolecularFormula
C14H10FN
MolecularWeight
211.2343
MdlNumber
MFCD20529480
Smiles
N#Cc1cccc(c1)c1ccc(c(c1)F)C
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3.7
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CatalogNumber: AD25478
ChemicalName: 3-(3-Fluoro-4-methylphenyl)benzonitrile
CasNumber: 1352318-43-4
MolecularFormula: C14H10FN
MolecularWeight: 211.2343
MdlNumber: MFCD20529480
Smiles: N#Cc1cccc(c1)c1ccc(c(c1)F)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AD25478
ChemicalName:
3-(3-Fluoro-4-methylphenyl)benzonitrile
CasNumber:
1352318-43-4
MolecularFormula:
C14H10FN
MolecularWeight:
211.2343
MdlNumber:
MFCD20529480
Smiles:
N#Cc1cccc(c1)c1ccc(c(c1)F)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.7
CatalogNumber: AD25479
ChemicalName: 2-[2-(Methylsulfanyl)phenyl]benzonitrile
CasNumber: 1352318-41-2
MolecularFormula: C14H11NS
MolecularWeight: 225.3088
MdlNumber: MFCD20529501
Smiles: CSc1ccccc1c1ccccc1C#N
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AD25479
ChemicalName:
2-[2-(Methylsulfanyl)phenyl]benzonitrile
CasNumber:
1352318-41-2
MolecularFormula:
C14H11NS
MolecularWeight:
225.3088
MdlNumber:
MFCD20529501
Smiles:
CSc1ccccc1c1ccccc1C#N
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)C)F
Complexity: 271
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][N+](=O)c1ccc(cc1)c1ccc(c(c1)C)F
Complexity:
271
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(N)cc(c(c1C)N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(N)cc(c(c1C)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__