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62089-35-4 | 2-Methyl-3-(trifluoromethyl)benzoic acid
CAS No: 62089-35-4 Catalog No: AG003B93 MDL No:MFCD01631588
Product Description
Catalog Number:
AG003B93
Chemical Name:
2-Methyl-3-(trifluoromethyl)benzoic acid
CAS Number:
62089-35-4
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD01631588
IUPAC Name:
2-methyl-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H7F3O2/c1-5-6(8(13)14)3-2-4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key:
SSCFPSMXIDAJDT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)C(F)(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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