AD65120
106795-66-8 | 1-(2-fluorophenyl)cyclohexane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD65120
ChemicalName
1-(2-fluorophenyl)cyclohexane-1-carboxylic acid
CasNumber
106795-66-8
MolecularFormula
C13H15FO2
MolecularWeight
222.2554
MdlNumber
MFCD00800623
Smiles
OC(=O)C1(CCCCC1)c1ccccc1F
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AD65120
ChemicalName: 1-(2-fluorophenyl)cyclohexane-1-carboxylic acid
CasNumber: 106795-66-8
MolecularFormula: C13H15FO2
MolecularWeight: 222.2554
MdlNumber: MFCD00800623
Smiles: OC(=O)C1(CCCCC1)c1ccccc1F
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AD65120
ChemicalName:
1-(2-fluorophenyl)cyclohexane-1-carboxylic acid
CasNumber:
106795-66-8
MolecularFormula:
C13H15FO2
MolecularWeight:
222.2554
MdlNumber:
MFCD00800623
Smiles:
OC(=O)C1(CCCCC1)c1ccccc1F
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
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Smiles: Nc1cccc(c1)Oc1cccc(n1)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1cccc(c1)Oc1cccc(n1)Cl
Complexity:
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Smiles: CC(C(=O)c1ccc(cc1)OCc1ccccc1)Cl
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Smiles:
CC(C(=O)c1ccc(cc1)OCc1ccccc1)Cl
Complexity:
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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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Smiles: C[n+]1ccc(c(c1)C(=O)N)C.[Cl-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C[n+]1ccc(c(c1)C(=O)N)C.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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