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83349-35-3 | 4-bromo-1-(oxiran-2-yl)butane-1,2,3-triol
CAS No: 83349-35-3 Catalog No: AG004W5O MDL No:
Product Description
Catalog Number:
AG004W5O
Chemical Name:
4-bromo-1-(oxiran-2-yl)butane-1,2,3-triol
CAS Number:
83349-35-3
Molecular Formula:
C6H11BrO4
Molecular Weight:
227.0531
IUPAC Name:
4-bromo-1-(oxiran-2-yl)butane-1,2,3-triol
InChI:
InChI=1S/C6H11BrO4/c7-1-3(8)5(9)6(10)4-2-11-4/h3-6,8-10H,1-2H2
InChI Key:
TTXMHDKJKIQMDJ-UHFFFAOYSA-N
SMILES:
BrCC(C(C(C1OC1)O)O)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.054g/mol
Monoisotopic Mass:
225.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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