Acetic acid, [(2-cyano-3-fluorophenyl)thio]-, methyl ester


Chemical Name: Acetic acid, [(2-cyano-3-fluorophenyl)thio]-, methyl ester
CAS Number: 262433-37-4
Product Number: AG00I501(AGN-PC-0KS6WC)
Synonyms:
MDL No:
Molecular Formula: C10H8FNO2S
Molecular Weight: 225.2394

Identification/Properties


Computed Properties
Molecular Weight:
225.237g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
225.026g/mol
Monoisotopic Mass:
225.026g/mol
Topological Polar Surface Area:
75.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
276
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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