AA43127
127817-85-0 | 4-Methoxy-2-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA43127
ChemicalName
4-Methoxy-2-(trifluoromethyl)benzoic acid
CasNumber
127817-85-0
MolecularFormula
C9H7F3O3
MolecularWeight
220.1453
MdlNumber
MFCD01091013
Smiles
COc1ccc(c(c1)C(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: AA43127
ChemicalName: 4-Methoxy-2-(trifluoromethyl)benzoic acid
CasNumber: 127817-85-0
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD01091013
Smiles: COc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AA43127
ChemicalName:
4-Methoxy-2-(trifluoromethyl)benzoic acid
CasNumber:
127817-85-0
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD01091013
Smiles:
COc1ccc(c(c1)C(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: __
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Smiles: OC(=O)COc1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)OCC(=O)O)C=C3)c1ccc(cc1)OCC(=O)O)[nH]2)c1ccc(cc1)OCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OC(=O)COc1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)OCC(=O)O)C=C3)c1ccc(cc1)OCC(=O)O)[nH]2)c1ccc(cc1)OCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: [N-]=[N+]=NCCCCC(=O)OC
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
[N-]=[N+]=NCCCCC(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__