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175136-41-1 | Methanone, (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(2-methoxyphenyl)-
CAS No: 175136-41-1 Catalog No: AG00208T MDL No:MFCD00218917
Product Description
Catalog Number:
AG00208T
Chemical Name:
Methanone, (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(2-methoxyphenyl)-
CAS Number:
175136-41-1
Molecular Formula:
C16H13BrO4
Molecular Weight:
349.1760
MDL Number:
MFCD00218917
IUPAC Name:
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2-methoxyphenyl)methanone
InChI:
InChI=1S/C16H13BrO4/c1-19-13-5-3-2-4-10(13)16(18)11-8-14-15(9-12(11)17)21-7-6-20-14/h2-5,8-9H,6-7H2,1H3
InChI Key:
BHCZTJFCGPSSMC-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)c1cc2OCCOc2cc1Br
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.18g/mol
Monoisotopic Mass:
348g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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