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175136-38-6 | Methanone, (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl-
CAS No: 175136-38-6 Catalog No: AG00208W MDL No:MFCD00218835
Product Description
Catalog Number:
AG00208W
Chemical Name:
Methanone, (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl-
CAS Number:
175136-38-6
Molecular Formula:
C16H13BrO3
Molecular Weight:
333.1766
MDL Number:
MFCD00218835
IUPAC Name:
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenylmethanone
InChI:
InChI=1S/C16H13BrO3/c17-13-10-15-14(19-7-4-8-20-15)9-12(13)16(18)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2
InChI Key:
AECNFLAZVMSKTC-UHFFFAOYSA-N
SMILES:
Brc1cc2OCCCOc2cc1C(=O)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.181g/mol
Monoisotopic Mass:
332.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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