AI56465
790695-49-7 | Methyl 4-hydroxy-2-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AI56465
ChemicalName
Methyl 4-hydroxy-2-(trifluoromethyl)benzoate
CasNumber
790695-49-7
MolecularFormula
C9H7F3O3
MolecularWeight
220.14528959999998
MdlNumber
MFCD12406850
Smiles
COC(=O)c1ccc(cc1C(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: AI56465
ChemicalName: Methyl 4-hydroxy-2-(trifluoromethyl)benzoate
CasNumber: 790695-49-7
MolecularFormula: C9H7F3O3
MolecularWeight: 220.14528959999998
MdlNumber: MFCD12406850
Smiles: COC(=O)c1ccc(cc1C(F)(F)F)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AI56465
ChemicalName:
Methyl 4-hydroxy-2-(trifluoromethyl)benzoate
CasNumber:
790695-49-7
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.14528959999998
MdlNumber:
MFCD12406850
Smiles:
COC(=O)c1ccc(cc1C(F)(F)F)O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: ClCC(=O)c1c(C)cc(c(c1C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
ClCC(=O)c1c(C)cc(c(c1C)C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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ChemicalName: __
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Smiles: COc1c(Br)cccc1C(=O)N
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Xlogp3: __
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Smiles:
COc1c(Br)cccc1C(=O)N
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: Brc1cc([N+](=O)[O-])c(c(c1)C(=O)N)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1cc([N+](=O)[O-])c(c(c1)C(=O)N)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__