Benzoic acid, 3-chloro-4-fluoro-, ethyl ester


Chemical Name: Benzoic acid, 3-chloro-4-fluoro-, ethyl ester
CAS Number: 137521-81-4
Product Number: AG0013H0(AGN-PC-01LMCO)
Synonyms:
MDL No:
Molecular Formula: C9H8ClFO2
Molecular Weight: 202.6100

Identification/Properties


Computed Properties
Molecular Weight:
202.609g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
202.02g/mol
Monoisotopic Mass:
202.02g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
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


Other Analytical Data


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