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18080-66-5 | Quinoxaline, 2-(bromomethyl)-, 1,4-dioxide
CAS No: 18080-66-5 Catalog No: AG0022DM MDL No:
Product Description
Catalog Number:
AG0022DM
Chemical Name:
Quinoxaline, 2-(bromomethyl)-, 1,4-dioxide
CAS Number:
18080-66-5
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
IUPAC Name:
3-(bromomethyl)-4-oxidoquinoxalin-1-ium 1-oxide
InChI:
InChI=1S/C9H7BrN2O2/c10-5-7-6-11(13)8-3-1-2-4-9(8)12(7)14/h1-4,6H,5H2
InChI Key:
IXRAKFGTLLHWGC-UHFFFAOYSA-N
SMILES:
BrCc1c[n+]([O-])c2c([n+]1[O-])cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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