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86005-12-1 | 1,3-Dioxol-2-one, 4-(bromomethyl)-5-(1,1-dimethylethyl)-
CAS No: 86005-12-1 Catalog No: AG004LSC MDL No:
Product Description
Catalog Number:
AG004LSC
Chemical Name:
1,3-Dioxol-2-one, 4-(bromomethyl)-5-(1,1-dimethylethyl)-
CAS Number:
86005-12-1
Molecular Formula:
C8H11BrO3
Molecular Weight:
235.0751
IUPAC Name:
4-(bromomethyl)-5-tert-butyl-1,3-dioxol-2-one
InChI:
InChI=1S/C8H11BrO3/c1-8(2,3)6-5(4-9)11-7(10)12-6/h4H2,1-3H3
InChI Key:
VLAJSDGHBCCRAX-UHFFFAOYSA-N
SMILES:
BrCc1oc(=O)oc1C(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.077g/mol
Monoisotopic Mass:
233.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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