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163130-55-0 | 2H-1-Benzopyran-2-one, 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS No: 163130-55-0 Catalog No: AG001TSQ MDL No:
Product Description
Catalog Number:
AG001TSQ
Chemical Name:
2H-1-Benzopyran-2-one, 6-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS Number:
163130-55-0
Molecular Formula:
C17H11BrO4
Molecular Weight:
359.1708
IUPAC Name:
6-bromo-3-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-2-one
InChI:
InChI=1S/C17H11BrO4/c18-12-2-4-14-11(7-12)8-13(17(19)22-14)10-1-3-15-16(9-10)21-6-5-20-15/h1-4,7-9H,5-6H2
InChI Key:
BJSLOPIQUAAPPH-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(c(=O)o2)c1ccc2c(c1)OCCO2
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.984g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.175g/mol
Monoisotopic Mass:
357.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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