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Home > Fluorides > 851427-44-6
851427-44-6 | 4-(Pentafluorosulphur)cinnamic acid
CAS No: 851427-44-6 Catalog No: AG01FHGF MDL No:
Product Description
Catalog Number:
AG01FHGF
Chemical Name:
4-(Pentafluorosulphur)cinnamic acid
CAS Number:
851427-44-6
IUPAC Name:
(E)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C9H7F5O2S/c10-17(11,12,13,14)8-4-1-7(2-5-8)3-6-9(15)16/h1-6H,(H,15,16)/b6-3+
InChI Key:
QIUUUUDYDIQTOU-ZZXKWVIFSA-N
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
274.009g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.205g/mol
Monoisotopic Mass:
274.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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