2-Chloro-3-methylbenzoic acid methyl ester


Chemical Name: 2-Chloro-3-methylbenzoic acid methyl ester
CAS Number: 920759-93-9
Product Number: AG006KYS(AGN-PC-04Z0X9)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO2
Molecular Weight: 184.6196

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
184.619g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
184.029g/mol
Monoisotopic Mass:
184.029g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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