AA32027
1258618-34-6 | 3-(4-methoxyphenyl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA32027
ChemicalName
3-(4-methoxyphenyl)isonicotinic acid
CasNumber
1258618-34-6
MolecularFormula
C13H11NO3
MolecularWeight
229.2313
MdlNumber
MFCD18085893
Smiles
COc1ccc(cc1)c1cnccc1C(=O)O
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AA32027
ChemicalName: 3-(4-methoxyphenyl)isonicotinic acid
CasNumber: 1258618-34-6
MolecularFormula: C13H11NO3
MolecularWeight: 229.2313
MdlNumber: MFCD18085893
Smiles: COc1ccc(cc1)c1cnccc1C(=O)O
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AA32027
ChemicalName:
3-(4-methoxyphenyl)isonicotinic acid
CasNumber:
1258618-34-6
MolecularFormula:
C13H11NO3
MolecularWeight:
229.2313
MdlNumber:
MFCD18085893
Smiles:
COc1ccc(cc1)c1cnccc1C(=O)O
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: AA32028
ChemicalName: 5-(4-Carboxy-3-fluorophenyl)nicotinic acid
CasNumber: 1258613-93-2
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD18085602
Smiles: OC(=O)c1cncc(c1)c1ccc(c(c1)F)C(=O)O
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AA32028
ChemicalName:
5-(4-Carboxy-3-fluorophenyl)nicotinic acid
CasNumber:
1258613-93-2
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD18085602
Smiles:
OC(=O)c1cncc(c1)c1ccc(c(c1)F)C(=O)O
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.6
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Smiles: Fc1ccc(c(c1)F)c1cnccc1N
Complexity: __
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Smiles:
Fc1ccc(c(c1)F)c1cnccc1N
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1ccc(cc1)c1ccnc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Clc1ccc(cc1)c1ccnc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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