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88609-20-5 | Quinoline, 6,8-dinitro-
CAS No: 88609-20-5 Catalog No: AG004A6A MDL No:
Product Description
Catalog Number:
AG004A6A
Chemical Name:
Quinoline, 6,8-dinitro-
CAS Number:
88609-20-5
Molecular Formula:
C9H5N3O4
Molecular Weight:
219.1537
IUPAC Name:
6,8-dinitroquinoline
InChI:
InChI=1S/C9H5N3O4/c13-11(14)7-4-6-2-1-3-10-9(6)8(5-7)12(15)16/h1-5H
InChI Key:
BGFSMXPMBZGPQL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1nccc2)[N+](=O)[O-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.156g/mol
Monoisotopic Mass:
219.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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