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Home Halogens Methyl 3-bromopropionate

Methyl 3-bromopropionate

CAS No.:
3395-91-3
Catalog Number:
AG00356P
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$63
- +
500g
≥97%
In Stock USA
United States
$193
- +
Product Description
Catalog Number:
AG00356P
Chemical Name:
Methyl 3-bromopropionate
CAS Number:
3395-91-3
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
MDL Number:
MFCD00000250
IUPAC Name:
methyl 3-bromopropanoate
InChI:
InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3
InChI Key:
KQEVIFKPZOGBMZ-UHFFFAOYSA-N
SMILES:
COC(=O)CCBr
EC Number:
222-247-5
UNII:
Y803CH1P4W
NSC Number:
3705
Properties
Complexity:
62.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.963g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.002g/mol
Monoisotopic Mass:
165.963g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides. Journal of the American Chemical Society 20120411
Expanding the diversity of allosteric bcr-abl inhibitors. Journal of medicinal chemistry 20101014
2-Oxo-4-trifluoro-meth-yl-2H-chromen-7-yl 2-bromo-2-methyl-propano-ate. Acta crystallographica. Section E, Structure reports online 20100701
Properties