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3222-05-7

3222-05-7 structural image
Product Name: METHYL TRIBROMOACETATE, 99
Formula: C3H3Br3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1174 1170.5

COMPUTED DESCRIPTORS

Molecular Weight 310.77 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 309.76627 g/mol
Monoisotopic Mass 307.76832 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 95.2
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes