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600-05-5

600-05-5 | 2,3-Dibromopropionic acid

CAS No: 600-05-5 Catalog No: AG0038M3 MDL No:MFCD00004212

Product Description

Catalog Number:
AG0038M3
Chemical Name:
2,3-Dibromopropionic acid
CAS Number:
600-05-5
Molecular Formula:
C3H4Br2O2
Molecular Weight:
231.8707
MDL Number:
MFCD00004212
IUPAC Name:
2,3-dibromopropanoic acid
InChI:
InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChI Key:
ZMYAKSMZTVWUJB-UHFFFAOYSA-N
SMILES:
OC(=O)C(CBr)Br
EC Number:
209-981-1
NSC Number:
175

Properties

Complexity:
73.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.856g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.871g/mol
Monoisotopic Mass:
229.858g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Literature

Title Journal
Octa-n-butyl-1κC,2κC,3κ,4κC-bis-(μ-2,3-dibromo-propionato)-1:2κO:O',3:4κO:O'-bis-(2,3-dibromo-propionato)-1κO,3κO-di-μ(3)-oxido-1:2:4κO:O:O,2:3:4κO:O:O-tetra-tin(IV). Acta crystallographica. Section E, Structure reports online 20081201
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
NMR quantum computing: applying theoretical methods to designing enhanced systems. Magnetic resonance in chemistry : MRC 20041001

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