Butanoic acid, 3-bromo-2-oxo-, methyl ester


Chemical Name: Butanoic acid, 3-bromo-2-oxo-, methyl ester
CAS Number: 34329-73-2
Product Number: AG00C9IT(AGN-PC-0NH9GP)
Synonyms:
MDL No:
Molecular Formula: C5H7BrO3
Molecular Weight: 195.0113

Identification/Properties


Computed Properties
Molecular Weight:
195.012g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
193.958g/mol
Monoisotopic Mass:
193.958g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
132
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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