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Home > Fluorides > 773869-50-4
773869-50-4 | 2,3,5-Trifluoro-4-methylbenzoic acid
CAS No: 773869-50-4 Catalog No: AG003FF9 MDL No:MFCD00456800
Product Description
Catalog Number:
AG003FF9
Chemical Name:
2,3,5-Trifluoro-4-methylbenzoic acid
CAS Number:
773869-50-4
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD00456800
IUPAC Name:
2,3,5-trifluoro-4-methylbenzoic acid
InChI:
InChI=1S/C8H5F3O2/c1-3-5(9)2-4(8(12)13)7(11)6(3)10/h2H,1H3,(H,12,13)
InChI Key:
BLYIPGURQKHLOM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)F)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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