Benzoic acid, 2-chloro-4-cyano-, methyl ester


Chemical Name: Benzoic acid, 2-chloro-4-cyano-, methyl ester
CAS Number: 98592-34-8
Product Number: AG0036V8(AGN-PC-09ZJLA)
Synonyms:
MDL No:
Molecular Formula: C9H6ClNO2
Molecular Weight: 195.6024

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
195.602g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
195.009g/mol
Monoisotopic Mass:
195.009g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
245
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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