Benzoic acid, 3-chloro-4-methyl-, methyl ester


Chemical Name: Benzoic acid, 3-chloro-4-methyl-, methyl ester
CAS Number: 56525-63-4
Product Number: AG00IA38(AGN-PC-0KLBRH)
Synonyms:
MDL No: MFCD00205141
Molecular Formula: C9H9ClO2
Molecular Weight: 184.6196

Identification/Properties


Properties
MP:
28-29 °C
BP:
254.3°C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
184.619g/mol
XLogP3:
3.5
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


NMR Spectrum


Other Analytical Data


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