Benzoic acid, 2-chloro-, ethyl ester


Chemical Name: Benzoic acid, 2-chloro-, ethyl ester
CAS Number: 7335-25-3
Product Number: AG003Q3R(AGN-PC-0JLTHD)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO2
Molecular Weight: 184.6196

Identification/Properties


Properties
BP:
243.0°C
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.523(lit.)
Computed Properties
Molecular Weight:
184.619g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
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:
159
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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