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206879-83-6 | 4H-1,3-Benzodioxin-8-methanol, 6-bromo-2,2-dimethyl-
CAS No: 206879-83-6 Catalog No: AG002IQ0 MDL No:
Product Description
Catalog Number:
AG002IQ0
Chemical Name:
4H-1,3-Benzodioxin-8-methanol, 6-bromo-2,2-dimethyl-
CAS Number:
206879-83-6
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
IUPAC Name:
(6-bromo-2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methanol
InChI:
InChI=1S/C11H13BrO3/c1-11(2)14-6-8-4-9(12)3-7(5-13)10(8)15-11/h3-4,13H,5-6H2,1-2H3
InChI Key:
CUZIYYVKMMQJRY-UHFFFAOYSA-N
SMILES:
OCc1cc(Br)cc2c1OC(C)(C)OC2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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