Name: Name:Ethanone, 2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-
Brand: Angene
SKU: AG000759
Rating: 90 (10 reviews)

Ethanone, 2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-

CAS No.:

102293-80-1

Catalog Number:

AG000759

Molecular Formula:

C12H13BrO3

Molecular Weight:

285.1338

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

MDL Number:

MFCD26385854

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

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.137g/mol

Monoisotopic Mass:

284.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5