Propanoic acid, 3-bromo-, methyl ester


Chemical Name: Propanoic acid, 3-bromo-, methyl ester
CAS Number: 3395-91-3
Product Number: AG00356P(AGN-PC-0JLQD7)
Synonyms:
MDL No:
Molecular Formula: C4H7BrO2
Molecular Weight: 167.0012

Identification/Properties


Properties
MP:
75°C
BP:
166.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.458(lit.)
Computed Properties
Molecular Weight:
167.002g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
165.963g/mol
Monoisotopic Mass:
165.963g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
62.7
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#:
-
Hazard Statements:
H227-H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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