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21727-91-3

21727-91-3 structural image
Product Name: 7-broMo-1-heptanol acetate
Formula: C9H17BrO2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1477

COMPUTED DESCRIPTORS

Molecular Weight 237.13 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 8
Exact Mass 236.04119 g/mol
Monoisotopic Mass 236.04119 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 115
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