Benzoic acid, 3-(chloromethyl)-, ethyl ester


Chemical Name: Benzoic acid, 3-(chloromethyl)-, ethyl ester
CAS Number: 54589-54-7
Product Number: AG00I9R3(AGN-PC-002MTV)
Synonyms:
MDL No: MFCD06200832
Molecular Formula: C10H11ClO2
Molecular Weight: 198.6461

Identification/Properties


Properties
BP:
292.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.5280 to 1.5320
Computed Properties
Molecular Weight:
198.646g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
198.045g/mol
Monoisotopic Mass:
198.045g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
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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