AA90768
168618-65-3 | Methyl 3-(2-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA90768
ChemicalName
Methyl 3-(2-cyanophenyl)benzoate
CasNumber
168618-65-3
MolecularFormula
C15H11NO2
MolecularWeight
237.25333999999998
MdlNumber
MFCD05980890
Smiles
COC(=O)c1cccc(c1)c1ccccc1C#N
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AA90768
ChemicalName: Methyl 3-(2-cyanophenyl)benzoate
CasNumber: 168618-65-3
MolecularFormula: C15H11NO2
MolecularWeight: 237.25333999999998
MdlNumber: MFCD05980890
Smiles: COC(=O)c1cccc(c1)c1ccccc1C#N
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AA90768
ChemicalName:
Methyl 3-(2-cyanophenyl)benzoate
CasNumber:
168618-65-3
MolecularFormula:
C15H11NO2
MolecularWeight:
237.25333999999998
MdlNumber:
MFCD05980890
Smiles:
COC(=O)c1cccc(c1)c1ccccc1C#N
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1nccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)c1nccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA90770
ChemicalName: 2'-(Trifluoromethyl)biphenyl-3-carboxylic acid
CasNumber: 168618-48-2
MolecularFormula: C14H9F3O2
MolecularWeight: 266.2153
MdlNumber: MFCD03424602
Smiles: OC(=O)c1cccc(c1)c1ccccc1C(F)(F)F
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 4.6
CatalogNumber:
AA90770
ChemicalName:
2'-(Trifluoromethyl)biphenyl-3-carboxylic acid
CasNumber:
168618-48-2
MolecularFormula:
C14H9F3O2
MolecularWeight:
266.2153
MdlNumber:
MFCD03424602
Smiles:
OC(=O)c1cccc(c1)c1ccccc1C(F)(F)F
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
4.6
CatalogNumber: AA90771
ChemicalName: 2'-Methoxybiphenyl-3-carboxylic acid
CasNumber: 168618-47-1
MolecularFormula: C14H12O3
MolecularWeight: 228.2433
MdlNumber: MFCD03424597
Smiles: COc1ccccc1c1cccc(c1)C(=O)O
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AA90771
ChemicalName:
2'-Methoxybiphenyl-3-carboxylic acid
CasNumber:
168618-47-1
MolecularFormula:
C14H12O3
MolecularWeight:
228.2433
MdlNumber:
MFCD03424597
Smiles:
COc1ccccc1c1cccc(c1)C(=O)O
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3