AE62192
1258621-89-4 | 2-(4-methoxycarbonylphenyl)Isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62192
ChemicalName
2-(4-methoxycarbonylphenyl)Isonicotinic acid
CasNumber
1258621-89-4
MolecularFormula
C14H11NO4
MolecularWeight
257.2414
MdlNumber
MFCD17079060
Smiles
COC(=O)c1ccc(cc1)c1nccc(c1)C(=O)O
Complexity
336
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AE62192
ChemicalName: 2-(4-methoxycarbonylphenyl)Isonicotinic acid
CasNumber: 1258621-89-4
MolecularFormula: C14H11NO4
MolecularWeight: 257.2414
MdlNumber: MFCD17079060
Smiles: COC(=O)c1ccc(cc1)c1nccc(c1)C(=O)O
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AE62192
ChemicalName:
2-(4-methoxycarbonylphenyl)Isonicotinic acid
CasNumber:
1258621-89-4
MolecularFormula:
C14H11NO4
MolecularWeight:
257.2414
MdlNumber:
MFCD17079060
Smiles:
COC(=O)c1ccc(cc1)c1nccc(c1)C(=O)O
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1cccc2c1occ2)O
Complexity: 162
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1cccc2c1occ2)O
Complexity:
162
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62194
ChemicalName: {4-[4-Fluoro-3-(trifluoromethyl)phenyl]phenyl}acetic acid
CasNumber: 1375068-91-9
MolecularFormula: C15H10F4O2
MolecularWeight: 298.2323
MdlNumber: MFCD22205792
Smiles: OC(=O)Cc1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AE62194
ChemicalName:
{4-[4-Fluoro-3-(trifluoromethyl)phenyl]phenyl}acetic acid
CasNumber:
1375068-91-9
MolecularFormula:
C15H10F4O2
MolecularWeight:
298.2323
MdlNumber:
MFCD22205792
Smiles:
OC(=O)Cc1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4
CatalogNumber: AE62195
ChemicalName: 4-(Furan-2-yl)nicotinic acid
CasNumber: 1261961-41-4
MolecularFormula: C10H7NO3
MolecularWeight: 189.1675
MdlNumber: MFCD18323292
Smiles: OC(=O)c1cnccc1c1ccco1
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AE62195
ChemicalName:
4-(Furan-2-yl)nicotinic acid
CasNumber:
1261961-41-4
MolecularFormula:
C10H7NO3
MolecularWeight:
189.1675
MdlNumber:
MFCD18323292
Smiles:
OC(=O)c1cnccc1c1ccco1
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1