AA90759
168619-25-8 | 3'-Amino-biphenyl-3-carboxylic acid methyl ester, HCl
Manufacturer: A2B Chem
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CatalogNumber
AA90759
ChemicalName
3'-Amino-biphenyl-3-carboxylic acid methyl ester, HCl
CasNumber
168619-25-8
MolecularFormula
C14H13NO2
MolecularWeight
227.2585
MdlNumber
MFCD04039110
Smiles
COC(=O)c1cccc(c1)c1cccc(c1)N
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AA90759
ChemicalName: 3'-Amino-biphenyl-3-carboxylic acid methyl ester, HCl
CasNumber: 168619-25-8
MolecularFormula: C14H13NO2
MolecularWeight: 227.2585
MdlNumber: MFCD04039110
Smiles: COC(=O)c1cccc(c1)c1cccc(c1)N
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AA90759
ChemicalName:
3'-Amino-biphenyl-3-carboxylic acid methyl ester, HCl
CasNumber:
168619-25-8
MolecularFormula:
C14H13NO2
MolecularWeight:
227.2585
MdlNumber:
MFCD04039110
Smiles:
COC(=O)c1cccc(c1)c1cccc(c1)N
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
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
HydrogenBondDonorCount: __
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
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1)c1cocc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1)c1cocc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
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
HydrogenBondDonorCount: 1
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
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.1