AB32552
276861-63-3 | 3-Methoxy-4-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB32552
ChemicalName
3-Methoxy-4-(trifluoromethyl)benzoic acid
CasNumber
276861-63-3
MolecularFormula
C9H7F3O3
MolecularWeight
220.1453
MdlNumber
MFCD13185682
Smiles
COc1cc(ccc1C(F)(F)F)C(=O)O
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AB32552
ChemicalName: 3-Methoxy-4-(trifluoromethyl)benzoic acid
CasNumber: 276861-63-3
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD13185682
Smiles: COc1cc(ccc1C(F)(F)F)C(=O)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB32552
ChemicalName:
3-Methoxy-4-(trifluoromethyl)benzoic acid
CasNumber:
276861-63-3
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD13185682
Smiles:
COc1cc(ccc1C(F)(F)F)C(=O)O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(CCl)ccc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc(CCl)ccc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C[C@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__