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773132-79-9 | 3-(Pentafluorosulfur)cinnamic acid
CAS No: 773132-79-9 Catalog No: AG01EXCT MDL No:
Product Description
Catalog Number:
AG01EXCT
Chemical Name:
3-(Pentafluorosulfur)cinnamic acid
CAS Number:
773132-79-9
Molecular Formula:
C9H7F5O2S
Molecular Weight:
274.2077
IUPAC Name:
(E)-3-[3-(pentafluoro-λ6-sulfanyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C9H7F5O2S/c10-17(11,12,13,14)8-3-1-2-7(6-8)4-5-9(15)16/h1-6H,(H,15,16)/b5-4+
InChI Key:
KMBHXZKXHIDSTE-SNAWJCMRSA-N
SMILES:
OC(=O)/C=C/c1cccc(c1)S(F)(F)(F)(F)F
Properties
Complexity:
347
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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