Benzeneacetic acid, 3,4-dichloro-, methyl ester


Chemical Name: Benzeneacetic acid, 3,4-dichloro-, methyl ester
CAS Number: 6725-44-6
Product Number: AG003RQ4(AGN-PC-0K2UJK)
Synonyms:
MDL No:
Molecular Formula: C9H8Cl2O2
Molecular Weight: 219.0646

Identification/Properties


Properties
MP:
25-27°C
BP:
274.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.54-1.542
Computed Properties
Molecular Weight:
219.061g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
217.99g/mol
Monoisotopic Mass:
217.99g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
185
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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