AC03026
887981-96-6 | 6-(3-Cyanophenyl)picolinic acid
Manufacturer: A2B Chem
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CatalogNumber
AC03026
ChemicalName
6-(3-Cyanophenyl)picolinic acid
CasNumber
887981-96-6
MolecularFormula
C13H8N2O2
MolecularWeight
224.2148
MdlNumber
MFCD06410076
Smiles
N#Cc1cccc(c1)c1cccc(n1)C(=O)O
Complexity
334
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AC03026
ChemicalName: 6-(3-Cyanophenyl)picolinic acid
CasNumber: 887981-96-6
MolecularFormula: C13H8N2O2
MolecularWeight: 224.2148
MdlNumber: MFCD06410076
Smiles: N#Cc1cccc(c1)c1cccc(n1)C(=O)O
Complexity: 334
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AC03026
ChemicalName:
6-(3-Cyanophenyl)picolinic acid
CasNumber:
887981-96-6
MolecularFormula:
C13H8N2O2
MolecularWeight:
224.2148
MdlNumber:
MFCD06410076
Smiles:
N#Cc1cccc(c1)c1cccc(n1)C(=O)O
Complexity:
334
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)C1(CCC(=O)CC1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)C1(CCC(=O)CC1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC03028
ChemicalName: 6-(3,5-Dichlorophenyl)nicotinic acid
CasNumber: 887976-70-7
MolecularFormula: C12H7Cl2NO2
MolecularWeight: 268.0955
MdlNumber: MFCD06410417
Smiles: Clc1cc(Cl)cc(c1)c1ccc(cn1)C(=O)O
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AC03028
ChemicalName:
6-(3,5-Dichlorophenyl)nicotinic acid
CasNumber:
887976-70-7
MolecularFormula:
C12H7Cl2NO2
MolecularWeight:
268.0955
MdlNumber:
MFCD06410417
Smiles:
Clc1cc(Cl)cc(c1)c1ccc(cn1)C(=O)O
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc(c1)c1ccc(cn1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc(c1)c1ccc(cn1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__