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101018-99-9 | Methanone, (4-bromophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS No: 101018-99-9 Catalog No: AG0003JP MDL No:
Product Description
Catalog Number:
AG0003JP
Chemical Name:
Methanone, (4-bromophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS Number:
101018-99-9
Molecular Formula:
C15H11BrO3
Molecular Weight:
319.1500
IUPAC Name:
(4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
InChI:
InChI=1S/C15H11BrO3/c16-12-4-1-10(2-5-12)15(17)11-3-6-13-14(9-11)19-8-7-18-13/h1-6,9H,7-8H2
InChI Key:
SGJFGWWIHHLCTG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
325
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:
2.9
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