AA90760
168619-12-3 | Methyl 3-(3-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA90760
ChemicalName
Methyl 3-(3-cyanophenyl)benzoate
CasNumber
168619-12-3
MolecularFormula
C15H11NO2
MolecularWeight
237.2533
MdlNumber
MFCD05978889
Smiles
COC(=O)c1cccc(c1)c1cccc(c1)C#N
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.8
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CatalogNumber: AA90760
ChemicalName: Methyl 3-(3-cyanophenyl)benzoate
CasNumber: 168619-12-3
MolecularFormula: C15H11NO2
MolecularWeight: 237.2533
MdlNumber: MFCD05978889
Smiles: COC(=O)c1cccc(c1)c1cccc(c1)C#N
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AA90760
ChemicalName:
Methyl 3-(3-cyanophenyl)benzoate
CasNumber:
168619-12-3
MolecularFormula:
C15H11NO2
MolecularWeight:
237.2533
MdlNumber:
MFCD05978889
Smiles:
COC(=O)c1cccc(c1)c1cccc(c1)C#N
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1)c1cocc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1)c1cocc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA90762
ChemicalName: 3'-Chlorobiphenyl-3-carboxylic acid
CasNumber: 168619-06-5
MolecularFormula: C13H9ClO2
MolecularWeight: 232.6624
MdlNumber: MFCD03424595
Smiles: Clc1cccc(c1)c1cccc(c1)C(=O)O
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AA90762
ChemicalName:
3'-Chlorobiphenyl-3-carboxylic acid
CasNumber:
168619-06-5
MolecularFormula:
C13H9ClO2
MolecularWeight:
232.6624
MdlNumber:
MFCD03424595
Smiles:
Clc1cccc(c1)c1cccc(c1)C(=O)O
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
4.1
CatalogNumber: AA90763
ChemicalName: 3'-(Trifluoromethyl)biphenyl-3-carboxylic acid
CasNumber: 168619-05-4
MolecularFormula: C14H9F3O2
MolecularWeight: 266.2153
MdlNumber: MFCD03424603
Smiles: OC(=O)c1cccc(c1)c1cccc(c1)C(F)(F)F
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 4.6
CatalogNumber:
AA90763
ChemicalName:
3'-(Trifluoromethyl)biphenyl-3-carboxylic acid
CasNumber:
168619-05-4
MolecularFormula:
C14H9F3O2
MolecularWeight:
266.2153
MdlNumber:
MFCD03424603
Smiles:
OC(=O)c1cccc(c1)c1cccc(c1)C(F)(F)F
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
4.6