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102293-80-1 | Ethanone, 2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-
CAS No: 102293-80-1 Catalog No: AG000759 MDL No:
Product Description
Catalog Number:
AG000759
Chemical Name:
Ethanone, 2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-
CAS Number:
102293-80-1
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
IUPAC Name:
2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanone
InChI:
InChI=1S/C12H13BrO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5H,6-7H2,1-2H3
InChI Key:
SJYXUPGLQCUYJS-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc2c(c1)COC(O2)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.137g/mol
Monoisotopic Mass:
284.005g/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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