AA22012
115933-50-1 | Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA22012
ChemicalName
Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
CasNumber
115933-50-1
MolecularFormula
C9H7F3O3
MolecularWeight
220.1453
MdlNumber
MFCD06204091
Smiles
COC(=O)c1ccc(c(c1)C(F)(F)F)O
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AA22012
ChemicalName: Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
CasNumber: 115933-50-1
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD06204091
Smiles: COC(=O)c1ccc(c(c1)C(F)(F)F)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AA22012
ChemicalName:
Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
CasNumber:
115933-50-1
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD06204091
Smiles:
COC(=O)c1ccc(c(c1)C(F)(F)F)O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Fc1ccc(cc1)c1ccc(s1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
Fc1ccc(cc1)c1ccc(s1)C(=O)O
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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Xlogp3:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: OC(=O)c1ccc(s1)c1ccc(cc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1ccc(s1)c1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1ccc(cc1)c1cccs1)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1ccc(cc1)c1cccs1)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__