AI61981
926236-47-7 | 2-Fluoro-4-(4-t-butylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI61981
ChemicalName
2-Fluoro-4-(4-t-butylphenyl)benzoic acid
CasNumber
926236-47-7
MolecularFormula
C17H17FO2
MolecularWeight
272.3141
MdlNumber
MFCD09042317
Smiles
OC(=O)c1ccc(cc1F)c1ccc(cc1)C(C)(C)C
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.8
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CatalogNumber: AI61981
ChemicalName: 2-Fluoro-4-(4-t-butylphenyl)benzoic acid
CasNumber: 926236-47-7
MolecularFormula: C17H17FO2
MolecularWeight: 272.3141
MdlNumber: MFCD09042317
Smiles: OC(=O)c1ccc(cc1F)c1ccc(cc1)C(C)(C)C
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.8
CatalogNumber:
AI61981
ChemicalName:
2-Fluoro-4-(4-t-butylphenyl)benzoic acid
CasNumber:
926236-47-7
MolecularFormula:
C17H17FO2
MolecularWeight:
272.3141
MdlNumber:
MFCD09042317
Smiles:
OC(=O)c1ccc(cc1F)c1ccc(cc1)C(C)(C)C
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.8
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Smiles: Fc1ccc(c(c1)C(=O)O)c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Fc1ccc(c(c1)C(=O)O)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(c(c1)C(=O)O)c1cccc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)C(=O)O)c1cccc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(NS(=O)(=O)C)c(cc1OC)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(NS(=O)(=O)C)c(cc1OC)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__