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Home > Fluorides > 812643-49-5
812643-49-5 | 2,3,5-Trifluoro-4-(4-methylpiperazin-1-yl)benzoic acid
CAS No: 812643-49-5 Catalog No: AG01FOJH MDL No:
Product Description
Catalog Number:
AG01FOJH
Chemical Name:
2,3,5-Trifluoro-4-(4-methylpiperazin-1-yl)benzoic acid
CAS Number:
812643-49-5
IUPAC Name:
2,3,5-trifluoro-4-(4-methylpiperazin-1-yl)benzoic acid
InChI:
InChI=1S/C12H13F3N2O2/c1-16-2-4-17(5-3-16)11-8(13)6-7(12(18)19)9(14)10(11)15/h6H,2-5H2,1H3,(H,18,19)
InChI Key:
LGPZFOWYMRRNOM-UHFFFAOYSA-N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.243g/mol
Monoisotopic Mass:
274.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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