AG16786
4385-62-0 | 4-(2-Pyridyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG16786
ChemicalName
4-(2-Pyridyl)benzoic acid
CasNumber
4385-62-0
MolecularFormula
C12H9NO2
MolecularWeight
199.2054
MdlNumber
MFCD01830093
Smiles
OC(=O)c1ccc(cc1)c1ccccn1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AG16786
ChemicalName: 4-(2-Pyridyl)benzoic acid
CasNumber: 4385-62-0
MolecularFormula: C12H9NO2
MolecularWeight: 199.2054
MdlNumber: MFCD01830093
Smiles: OC(=O)c1ccc(cc1)c1ccccn1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AG16786
ChemicalName:
4-(2-Pyridyl)benzoic acid
CasNumber:
4385-62-0
MolecularFormula:
C12H9NO2
MolecularWeight:
199.2054
MdlNumber:
MFCD01830093
Smiles:
OC(=O)c1ccc(cc1)c1ccccn1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AG16787
ChemicalName: (4-Cyanophenyl)acetic acid
CasNumber: 5462-71-5
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD06798066
Smiles: N#Cc1ccc(cc1)CC(=O)O
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AG16787
ChemicalName:
(4-Cyanophenyl)acetic acid
CasNumber:
5462-71-5
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD06798066
Smiles:
N#Cc1ccc(cc1)CC(=O)O
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AG16788
ChemicalName: 1-N-Boc-3-cyanopyrrolidine
CasNumber: 476493-40-0
MolecularFormula: C10H16N2O2
MolecularWeight: 196.2462
MdlNumber: MFCD03001709
Smiles: N#CC1CCN(C1)C(=O)OC(C)(C)C
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AG16788
ChemicalName:
1-N-Boc-3-cyanopyrrolidine
CasNumber:
476493-40-0
MolecularFormula:
C10H16N2O2
MolecularWeight:
196.2462
MdlNumber:
MFCD03001709
Smiles:
N#CC1CCN(C1)C(=O)OC(C)(C)C
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: AG16789
ChemicalName: (4-Pyridin-4-yl-phenyl)-acetic acid
CasNumber: 55397-08-5
MolecularFormula: C13H11NO2
MolecularWeight: 213.23193999999998
MdlNumber: MFCD06658509
Smiles: OC(=O)Cc1ccc(cc1)c1ccncc1
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AG16789
ChemicalName:
(4-Pyridin-4-yl-phenyl)-acetic acid
CasNumber:
55397-08-5
MolecularFormula:
C13H11NO2
MolecularWeight:
213.23193999999998
MdlNumber:
MFCD06658509
Smiles:
OC(=O)Cc1ccc(cc1)c1ccncc1
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9