Propanedioic acid, bromo-, dimethyl ester


Chemical Name: Propanedioic acid, bromo-, dimethyl ester
CAS Number: 868-26-8
Product Number: AG003PLR(AGN-PC-0JL9GO)
Synonyms:
MDL No:
Molecular Formula: C5H7BrO4
Molecular Weight: 211.0107

Identification/Properties


Properties
BP:
105-108 °C11 mm Hg(lit.)
Storage:
Room Temperature;Inert atmosphere;
Form:
Liquid
Refractive Index:
n20/D 1.460(lit.)
Computed Properties
Molecular Weight:
211.011g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
209.953g/mol
Monoisotopic Mass:
209.953g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
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:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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