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1014-18-2 | Ethanone, 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-2-yl)-
CAS No: 1014-18-2 Catalog No: AG0004F2 MDL No:MFCD04972619
Product Description
Catalog Number:
AG0004F2
Chemical Name:
Ethanone, 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-2-yl)-
CAS Number:
1014-18-2
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
MDL Number:
MFCD04972619
IUPAC Name:
2-bromo-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
InChI:
InChI=1S/C10H9BrO3/c11-5-7(12)10-6-13-8-3-1-2-4-9(8)14-10/h1-4,10H,5-6H2
InChI Key:
XHYCSCBAALGUBR-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1COc2c(O1)cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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