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Home > Fluorides > 1706435-01-9
1706435-01-9 | 2,4,6-Trifluoro-3-methylbenzoic acid
CAS No: 1706435-01-9 Catalog No: AG01FGOX MDL No:
Product Description
Catalog Number:
AG01FGOX
Chemical Name:
2,4,6-Trifluoro-3-methylbenzoic acid
CAS Number:
1706435-01-9
IUPAC Name:
2,4,6-trifluoro-3-methylbenzoic acid
InChI:
InChI=1S/C8H5F3O2/c1-3-4(9)2-5(10)6(7(3)11)8(12)13/h2H,1H3,(H,12,13)
InChI Key:
SMHAFRPFOFMDIW-UHFFFAOYSA-N
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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