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Home > Fluorides > 1706436-17-0
1706436-17-0 | 4-Methyl-2,5-bis(trifluoromethyl)benzoic acid
CAS No: 1706436-17-0 Catalog No: AG01FGPJ MDL No:
Product Description
Catalog Number:
AG01FGPJ
Chemical Name:
4-Methyl-2,5-bis(trifluoromethyl)benzoic acid
CAS Number:
1706436-17-0
IUPAC Name:
4-methyl-2,5-bis(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C10H6F6O2/c1-4-2-7(10(14,15)16)5(8(17)18)3-6(4)9(11,12)13/h2-3H,1H3,(H,17,18)
InChI Key:
XONWPGMYEQXSBC-UHFFFAOYSA-N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.146g/mol
Monoisotopic Mass:
272.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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