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1240261-79-3 | 3-Chloro-5-(pentafluorosulfur)cinnamic acid
CAS No: 1240261-79-3 Catalog No: AG01FAVL MDL No:
Product Description
Catalog Number:
AG01FAVL
Chemical Name:
3-Chloro-5-(pentafluorosulfur)cinnamic acid
CAS Number:
1240261-79-3
Molecular Formula:
C9H6ClF5O2S
Molecular Weight:
308.6528
IUPAC Name:
(E)-3-[3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C9H6ClF5O2S/c10-7-3-6(1-2-9(16)17)4-8(5-7)18(11,12,13,14)15/h1-5H,(H,16,17)/b2-1+
InChI Key:
ADQRQYHWENNZEP-OWOJBTEDSA-N
SMILES:
OC(=O)/C=C/c1cc(Cl)cc(c1)S(F)(F)(F)(F)F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
307.97g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.647g/mol
Monoisotopic Mass:
307.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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