AA36485
1261977-67-6 | 3-(3-Cyanophenyl)-4-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36485
ChemicalName
3-(3-Cyanophenyl)-4-fluorobenzoic acid
CasNumber
1261977-67-6
MolecularFormula
C14H8FNO2
MolecularWeight
241.2172
MdlNumber
MFCD18319125
Smiles
N#Cc1cccc(c1)c1cc(ccc1F)C(=O)O
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AA36485
ChemicalName: 3-(3-Cyanophenyl)-4-fluorobenzoic acid
CasNumber: 1261977-67-6
MolecularFormula: C14H8FNO2
MolecularWeight: 241.2172
MdlNumber: MFCD18319125
Smiles: N#Cc1cccc(c1)c1cc(ccc1F)C(=O)O
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AA36485
ChemicalName:
3-(3-Cyanophenyl)-4-fluorobenzoic acid
CasNumber:
1261977-67-6
MolecularFormula:
C14H8FNO2
MolecularWeight:
241.2172
MdlNumber:
MFCD18319125
Smiles:
N#Cc1cccc(c1)c1cc(ccc1F)C(=O)O
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AA36486
ChemicalName: 3-(5-Carboxy-2-fluorophenyl)benzoic acid
CasNumber: 1261977-27-8
MolecularFormula: C14H9FO4
MolecularWeight: 260.2173
MdlNumber: MFCD18312666
Smiles: Fc1ccc(cc1c1cccc(c1)C(=O)O)C(=O)O
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AA36486
ChemicalName:
3-(5-Carboxy-2-fluorophenyl)benzoic acid
CasNumber:
1261977-27-8
MolecularFormula:
C14H9FO4
MolecularWeight:
260.2173
MdlNumber:
MFCD18312666
Smiles:
Fc1ccc(cc1c1cccc(c1)C(=O)O)C(=O)O
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC(CCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1)C
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:
CC(CCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AA36489
ChemicalName: 2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine
CasNumber: 1261998-84-8
MolecularFormula: C13H9NOS
MolecularWeight: 227.2817
MdlNumber: MFCD18323585
Smiles: Oc1ccc(nc1)c1cc2c(s1)cccc2
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AA36489
ChemicalName:
2-[Benzo(b)thiophen-2-yl]-5-hydroxypyridine
CasNumber:
1261998-84-8
MolecularFormula:
C13H9NOS
MolecularWeight:
227.2817
MdlNumber:
MFCD18323585
Smiles:
Oc1ccc(nc1)c1cc2c(s1)cccc2
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2