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175136-36-4 | Ethanone, 1-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-
CAS No: 175136-36-4 Catalog No: AG00208Y MDL No:MFCD00218833
Product Description
Catalog Number:
AG00208Y
Chemical Name:
Ethanone, 1-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-
CAS Number:
175136-36-4
Molecular Formula:
C16H13BrO3
Molecular Weight:
333.1766
MDL Number:
MFCD00218833
IUPAC Name:
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-phenylethanone
InChI:
InChI=1S/C16H13BrO3/c17-13-10-16-15(19-6-7-20-16)9-12(13)14(18)8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChI Key:
JKMNAXMPRIKLNS-UHFFFAOYSA-N
SMILES:
O=C(c1cc2OCCOc2cc1Br)Cc1ccccc1
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:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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