AG32812
442670-45-3 | 2-(3-Chloro-4-methylphenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AG32812
ChemicalName
2-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber
442670-45-3
MolecularFormula
C14H10ClN
MolecularWeight
227.6889
MdlNumber
MFCD07779319
Smiles
N#Cc1ccccc1c1ccc(c(c1)Cl)C
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
4.3
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CatalogNumber: AG32812
ChemicalName: 2-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber: 442670-45-3
MolecularFormula: C14H10ClN
MolecularWeight: 227.6889
MdlNumber: MFCD07779319
Smiles: N#Cc1ccccc1c1ccc(c(c1)Cl)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AG32812
ChemicalName:
2-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber:
442670-45-3
MolecularFormula:
C14H10ClN
MolecularWeight:
227.6889
MdlNumber:
MFCD07779319
Smiles:
N#Cc1ccccc1c1ccc(c(c1)Cl)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
4.3
CatalogNumber: AG32813
ChemicalName: 4-(2-Methylpropoxy)benzonitrile
CasNumber: 5203-15-6
MolecularFormula: C11H13NO
MolecularWeight: 175.227
MdlNumber: MFCD08274895
Smiles: CC(COc1ccc(cc1)C#N)C
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AG32813
ChemicalName:
4-(2-Methylpropoxy)benzonitrile
CasNumber:
5203-15-6
MolecularFormula:
C11H13NO
MolecularWeight:
175.227
MdlNumber:
MFCD08274895
Smiles:
CC(COc1ccc(cc1)C#N)C
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C)cccc1Br
Complexity: 105
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C)cccc1Br
Complexity:
105
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: AG32815
ChemicalName: 4-(3-Nitrophenyl)phenol
CasNumber: 53059-30-6
MolecularFormula: C12H9NO3
MolecularWeight: 215.2048
MdlNumber: MFCD09909462
Smiles: Oc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AG32815
ChemicalName:
4-(3-Nitrophenyl)phenol
CasNumber:
53059-30-6
MolecularFormula:
C12H9NO3
MolecularWeight:
215.2048
MdlNumber:
MFCD09909462
Smiles:
Oc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.5