Benzeneacetic acid, 4-chloro-, ethyl ester


Chemical Name: Benzeneacetic acid, 4-chloro-, ethyl ester
CAS Number: 14062-24-9
Product Number: AG001CKE(AGN-PC-0JLUXT)
Synonyms:
MDL No: MFCD00018791
Molecular Formula: C10H11ClO2
Molecular Weight: 198.6461

Identification/Properties


Computed Properties
Molecular Weight:
198.646g/mol
XLogP3:
2.9
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:
162
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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