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175136-40-0 | Methanone, (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-bromophenyl)-
CAS No: 175136-40-0 Catalog No: AG00208U MDL No:MFCD00218916
Product Description
Catalog Number:
AG00208U
Chemical Name:
Methanone, (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-bromophenyl)-
CAS Number:
175136-40-0
Molecular Formula:
C15H10Br2O3
Molecular Weight:
398.0461
MDL Number:
MFCD00218916
IUPAC Name:
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-bromophenyl)methanone
InChI:
InChI=1S/C15H10Br2O3/c16-10-3-1-9(2-4-10)15(18)11-7-13-14(8-12(11)17)20-6-5-19-13/h1-4,7-8H,5-6H2
InChI Key:
LDEWYYUQJRXQRI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1cc2OCCOc2cc1Br
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.898g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.05g/mol
Monoisotopic Mass:
395.9g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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