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13094-51-4 | Acetic acid, 2-bromo-, 1,1'-anhydride
CAS No: 13094-51-4 Catalog No: AG000V55 MDL No:MFCD00045041
Product Description
Catalog Number:
AG000V55
Chemical Name:
Acetic acid, 2-bromo-, 1,1'-anhydride
CAS Number:
13094-51-4
Molecular Formula:
C4H4Br2O3
Molecular Weight:
259.8808
MDL Number:
MFCD00045041
IUPAC Name:
(2-bromoacetyl) 2-bromoacetate
InChI:
InChI=1S/C4H4Br2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
InChI Key:
FUKOTTQGWQVMQB-UHFFFAOYSA-N
SMILES:
BrCC(=O)OC(=O)CBr
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.851g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.881g/mol
Monoisotopic Mass:
257.853g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Matrix-assisted laser desorption/ionization mass spectrometry peptide sequencing utilizing selective N-terminal bromoacetylation. | Analytical biochemistry 20120415 |
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