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114414-23-2 | 1,3-Benzodioxole, 5,6-dibromo-2,2-dimethyl-
CAS No: 114414-23-2 Catalog No: AG000B9P MDL No:
Product Description
Catalog Number:
AG000B9P
Chemical Name:
1,3-Benzodioxole, 5,6-dibromo-2,2-dimethyl-
CAS Number:
114414-23-2
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
IUPAC Name:
5,6-dibromo-2,2-dimethyl-1,3-benzodioxole
InChI:
InChI=1S/C9H8Br2O2/c1-9(2)12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,1-2H3
InChI Key:
OIZDJNUXYCYWEY-UHFFFAOYSA-N
SMILES:
CC1(C)Oc2c(O1)cc(c(c2)Br)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Lewis acid-catalysed formation of two-dimensional phthalocyanine covalent organic frameworks. | Nature chemistry 20100801 |
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