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89084-95-7 | 1,3-Benzodioxole, 5,7-dibromo-4-butoxy-2,2-dimethyl-
CAS No: 89084-95-7 Catalog No: AG003Z21 MDL No:
Product Description
Catalog Number:
AG003Z21
Chemical Name:
1,3-Benzodioxole, 5,7-dibromo-4-butoxy-2,2-dimethyl-
CAS Number:
89084-95-7
Molecular Formula:
C13H16Br2O3
Molecular Weight:
380.0723
IUPAC Name:
5,7-dibromo-4-butoxy-2,2-dimethyl-1,3-benzodioxole
InChI:
InChI=1S/C13H16Br2O3/c1-4-5-6-16-10-8(14)7-9(15)11-12(10)18-13(2,3)17-11/h7H,4-6H2,1-3H3
InChI Key:
TWQQSDSCGLQUOT-UHFFFAOYSA-N
SMILES:
CCCCOc1c(Br)cc(c2c1OC(O2)(C)C)Br
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.945g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.076g/mol
Monoisotopic Mass:
377.947g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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