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Home > Nitro Compounds > 6639-87-8
6639-87-8 | 6-Nitroquinoxaline
CAS No: 6639-87-8 Catalog No: AG003NBK MDL No:MFCD00462822
Product Description
Catalog Number:
AG003NBK
Chemical Name:
6-Nitroquinoxaline
CAS Number:
6639-87-8
Molecular Formula:
C8H5N3O2
Molecular Weight:
175.1442
MDL Number:
MFCD00462822
IUPAC Name:
6-nitroquinoxaline
InChI:
InChI=1S/C8H5N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-5H
InChI Key:
YLKFDRWBZAALPN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nccn2
NSC Number:
48950
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.147g/mol
Monoisotopic Mass:
175.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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