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100595-07-1 | 2(1H)-Quinoxalinone, 3-(bromomethyl)-6,7-dimethoxy-1-methyl-
CAS No: 100595-07-1 Catalog No: AG0002FB MDL No:
Product Description
Catalog Number:
AG0002FB
Chemical Name:
2(1H)-Quinoxalinone, 3-(bromomethyl)-6,7-dimethoxy-1-methyl-
CAS Number:
100595-07-1
Molecular Formula:
C12H13BrN2O3
Molecular Weight:
313.1472
IUPAC Name:
3-(bromomethyl)-6,7-dimethoxy-1-methylquinoxalin-2-one
InChI:
InChI=1S/C12H13BrN2O3/c1-15-9-5-11(18-3)10(17-2)4-7(9)14-8(6-13)12(15)16/h4-5H,6H2,1-3H3
InChI Key:
MAGGXASHVAMJCT-UHFFFAOYSA-N
SMILES:
COc1cc2nc(CBr)c(=O)n(c2cc1OC)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.151g/mol
Monoisotopic Mass:
312.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Comparison of different fluorimetric HPLC methods for analysis of acidic polyether toxins in marine phytoplankton. | Analytical and bioanalytical chemistry 20031201 |
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