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175136-35-3 | Ethanone, 1-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
CAS No: 175136-35-3 Catalog No: AG00208Z MDL No:MFCD00218807
Product Description
Catalog Number:
AG00208Z
Chemical Name:
Ethanone, 1-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
CAS Number:
175136-35-3
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
MDL Number:
MFCD00218807
IUPAC Name:
1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone
InChI:
InChI=1S/C11H11BrO3/c1-7(13)8-5-10-11(6-9(8)12)15-4-2-3-14-10/h5-6H,2-4H2,1H3
InChI Key:
UUHAIZGEDARWJE-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2OCCCOc2cc1Br
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.11g/mol
Monoisotopic Mass:
269.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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