AA19490
114772-53-1 | 2-(4-Methylphenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA19490
ChemicalName
2-(4-Methylphenyl)benzonitrile
CasNumber
114772-53-1
MolecularFormula
C14H11N
MolecularWeight
193.2438
MdlNumber
MFCD00151805
Smiles
N#Cc1ccccc1c1ccc(cc1)C
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
3.8
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CatalogNumber: AA19490
ChemicalName: 2-(4-Methylphenyl)benzonitrile
CasNumber: 114772-53-1
MolecularFormula: C14H11N
MolecularWeight: 193.2438
MdlNumber: MFCD00151805
Smiles: N#Cc1ccccc1c1ccc(cc1)C
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 3.8
CatalogNumber:
AA19490
ChemicalName:
2-(4-Methylphenyl)benzonitrile
CasNumber:
114772-53-1
MolecularFormula:
C14H11N
MolecularWeight:
193.2438
MdlNumber:
MFCD00151805
Smiles:
N#Cc1ccccc1c1ccc(cc1)C
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
3.8
CatalogNumber: AA19492
ChemicalName: 4'-Bromomethyl-(1,1'-biphenyl)-2-carboxylic acid methyl ester
CasNumber: 114772-38-2
MolecularFormula: C15H13BrO2
MolecularWeight: 305.16652
MdlNumber: MFCD06200816
Smiles: COC(=O)c1ccccc1c1ccc(cc1)CBr
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 4.6
CatalogNumber:
AA19492
ChemicalName:
4'-Bromomethyl-(1,1'-biphenyl)-2-carboxylic acid methyl ester
CasNumber:
114772-38-2
MolecularFormula:
C15H13BrO2
MolecularWeight:
305.16652
MdlNumber:
MFCD06200816
Smiles:
COC(=O)c1ccccc1c1ccc(cc1)CBr
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)c1ccccc1C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)c1ccccc1C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA19494
ChemicalName: 4'-Methylbiphenyl-2-carboxylic acid methyl ester
CasNumber: 114772-34-8
MolecularFormula: C15H14O2
MolecularWeight: 226.2705
MdlNumber: MFCD03453661
Smiles: COC(=O)c1ccccc1c1ccc(cc1)C
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 4.4
CatalogNumber:
AA19494
ChemicalName:
4'-Methylbiphenyl-2-carboxylic acid methyl ester
CasNumber:
114772-34-8
MolecularFormula:
C15H14O2
MolecularWeight:
226.2705
MdlNumber:
MFCD03453661
Smiles:
COC(=O)c1ccccc1c1ccc(cc1)C
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
4.4