AI59450
886569-96-6 | 3-(3-Fluoro-benzyl)-benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI59450
ChemicalName
3-(3-Fluoro-benzyl)-benzoic acid
CasNumber
886569-96-6
MolecularFormula
C14H11FO2
MolecularWeight
230.2343
MdlNumber
MFCD23378461
Smiles
Fc1cccc(c1)Cc1cccc(c1)C(=O)O
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AI59450
ChemicalName: 3-(3-Fluoro-benzyl)-benzoic acid
CasNumber: 886569-96-6
MolecularFormula: C14H11FO2
MolecularWeight: 230.2343
MdlNumber: MFCD23378461
Smiles: Fc1cccc(c1)Cc1cccc(c1)C(=O)O
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AI59450
ChemicalName:
3-(3-Fluoro-benzyl)-benzoic acid
CasNumber:
886569-96-6
MolecularFormula:
C14H11FO2
MolecularWeight:
230.2343
MdlNumber:
MFCD23378461
Smiles:
Fc1cccc(c1)Cc1cccc(c1)C(=O)O
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: AI59451
ChemicalName: 3-(4-Fluoro-benzyl)-benzoic acid
CasNumber: 886569-97-7
MolecularFormula: C14H11FO2
MolecularWeight: 230.2343
MdlNumber: MFCD23378462
Smiles: Fc1ccc(cc1)Cc1cccc(c1)C(=O)O
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AI59451
ChemicalName:
3-(4-Fluoro-benzyl)-benzoic acid
CasNumber:
886569-97-7
MolecularFormula:
C14H11FO2
MolecularWeight:
230.2343
MdlNumber:
MFCD23378462
Smiles:
Fc1ccc(cc1)Cc1cccc(c1)C(=O)O
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4
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Smiles: CC1CCCN1C(=O)OCc1ccccc1
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Smiles:
CC1CCCN1C(=O)OCc1ccccc1
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Smiles: CC(=O)SC1CNC1
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Smiles:
CC(=O)SC1CNC1
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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