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10100-93-3 | Hexaneperoxoic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS No: 10100-93-3 Catalog No: AG0003HE MDL No:
Product Description
Catalog Number:
AG0003HE
Chemical Name:
Hexaneperoxoic acid, 6-bromo-, 1,1-dimethylethyl ester
CAS Number:
10100-93-3
Molecular Formula:
C10H19BrO3
Molecular Weight:
267.1601
IUPAC Name:
tert-butyl 6-bromohexaneperoxoate
InChI:
InChI=1S/C10H19BrO3/c1-10(2,3)14-13-9(12)7-5-4-6-8-11/h4-8H2,1-3H3
InChI Key:
JNBBFINZIBUKEK-UHFFFAOYSA-N
SMILES:
BrCCCCCC(=O)OOC(C)(C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.163g/mol
Monoisotopic Mass:
266.052g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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