2-Propenoic acid, 3-(2,6-dichlorophenyl)-


Chemical Name: 2-Propenoic acid, 3-(2,6-dichlorophenyl)-
CAS Number: 5345-89-1
Product Number: AG00DENV(AGN-PC-0JM187)
Synonyms:
MDL No:
Molecular Formula: C9H6Cl2O2
Molecular Weight: 217.04874

Identification/Properties


Properties
MP:
192-196 °C
BP:
355.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
217.045g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
215.974g/mol
Monoisotopic Mass:
215.974g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
206
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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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