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18080-67-6 | Quinoxaline, 2,3-bis(bromomethyl)-, 1,4-dioxide
CAS No: 18080-67-6 Catalog No: AG0022DL MDL No:MFCD00186742
Product Description
Catalog Number:
AG0022DL
Chemical Name:
Quinoxaline, 2,3-bis(bromomethyl)-, 1,4-dioxide
CAS Number:
18080-67-6
Molecular Formula:
C10H8Br2N2O2
Molecular Weight:
347.9907
MDL Number:
MFCD00186742
IUPAC Name:
2,3-bis(bromomethyl)-4-oxidoquinoxalin-1-ium 1-oxide
InChI:
InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2
InChI Key:
DQKNFTLRMZOAMG-UHFFFAOYSA-N
SMILES:
BrCc1[n+]([O-])c2ccccc2[n+](c1CBr)[O-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.893g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.994g/mol
Monoisotopic Mass:
345.895g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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