AA17787
117186-03-5 | 5-(Trifluoromethyl)benzene-1,3-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA17787
ChemicalName
5-(Trifluoromethyl)benzene-1,3-dicarboxylic acid
CasNumber
117186-03-5
MolecularFormula
C9H5F3O4
MolecularWeight
234.12880959999998
MdlNumber
MFCD22205769
Smiles
OC(=O)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity
278
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AA17787
ChemicalName: 5-(Trifluoromethyl)benzene-1,3-dicarboxylic acid
CasNumber: 117186-03-5
MolecularFormula: C9H5F3O4
MolecularWeight: 234.12880959999998
MdlNumber: MFCD22205769
Smiles: OC(=O)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AA17787
ChemicalName:
5-(Trifluoromethyl)benzene-1,3-dicarboxylic acid
CasNumber:
117186-03-5
MolecularFormula:
C9H5F3O4
MolecularWeight:
234.12880959999998
MdlNumber:
MFCD22205769
Smiles:
OC(=O)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
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
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Smiles: CCc1ccc(cc1)c1ccnc(n1)C
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Smiles:
CCc1ccc(cc1)c1ccnc(n1)C
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Smiles: OCc1cc2c(s1)c(Br)ccc2
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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:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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