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164526-08-3 | Methanone, (2-bromophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS No: 164526-08-3 Catalog No: AG001UXS MDL No:MFCD00430092
Product Description
Catalog Number:
AG001UXS
Chemical Name:
Methanone, (2-bromophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS Number:
164526-08-3
Molecular Formula:
C15H11BrO3
Molecular Weight:
319.1500
MDL Number:
MFCD00430092
IUPAC Name:
(2-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
InChI:
InChI=1S/C15H11BrO3/c16-12-4-2-1-3-11(12)15(17)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9H,7-8H2
InChI Key:
SKAMRSDNCRRMBY-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.989g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.154g/mol
Monoisotopic Mass:
317.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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