AA17788
117186-02-4 | 3-Methyl-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA17788
ChemicalName
3-Methyl-5-(trifluoromethyl)benzoic acid
CasNumber
117186-02-4
MolecularFormula
C9H7F3O2
MolecularWeight
204.14588959999998
MdlNumber
MFCD01631590
Smiles
Cc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AA17788
ChemicalName: 3-Methyl-5-(trifluoromethyl)benzoic acid
CasNumber: 117186-02-4
MolecularFormula: C9H7F3O2
MolecularWeight: 204.14588959999998
MdlNumber: MFCD01631590
Smiles: Cc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AA17788
ChemicalName:
3-Methyl-5-(trifluoromethyl)benzoic acid
CasNumber:
117186-02-4
MolecularFormula:
C9H7F3O2
MolecularWeight:
204.14588959999998
MdlNumber:
MFCD01631590
Smiles:
Cc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCc1ccc(cc1)c1ccnc(n1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCc1ccc(cc1)c1ccnc(n1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: OCc1cc2c(s1)c(Br)ccc2
Complexity: __
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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:
OCc1cc2c(s1)c(Br)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OCC#Cc1cnc2c(c1)ncn2C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC#Cc1cnc2c(c1)ncn2C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__