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116381-11-4 | 1,3-Dioxolo[4,5-g]quinoxalin-6(5H)-one, 7-(bromomethyl)-5-methyl-
CAS No: 116381-11-4 Catalog No: AG000CCC MDL No:
Product Description
Catalog Number:
AG000CCC
Chemical Name:
1,3-Dioxolo[4,5-g]quinoxalin-6(5H)-one, 7-(bromomethyl)-5-methyl-
CAS Number:
116381-11-4
Molecular Formula:
C11H9BrN2O3
Molecular Weight:
297.1048
IUPAC Name:
7-(bromomethyl)-5-methyl-[1,3]dioxolo[4,5-g]quinoxalin-6-one
InChI:
InChI=1S/C11H9BrN2O3/c1-14-8-3-10-9(16-5-17-10)2-6(8)13-7(4-12)11(14)15/h2-3H,4-5H2,1H3
InChI Key:
BOWPFIYSSZMRJD-UHFFFAOYSA-N
SMILES:
BrCc1nc2cc3OCOc3cc2n(c1=O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.108g/mol
Monoisotopic Mass:
295.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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