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Home > Nitro Compounds > 205046-59-9
205046-59-9 | 8-Quinolinecarbonitrile, 5-nitro-
CAS No: 205046-59-9 Catalog No: AG0029UF MDL No:MFCD27947097
Product Description
Catalog Number:
AG0029UF
Chemical Name:
8-Quinolinecarbonitrile, 5-nitro-
CAS Number:
205046-59-9
Molecular Formula:
C10H5N3O2
Molecular Weight:
199.1656
MDL Number:
MFCD27947097
IUPAC Name:
5-nitroquinoline-8-carbonitrile
InChI:
InChI=1S/C10H5N3O2/c11-6-7-3-4-9(13(14)15)8-2-1-5-12-10(7)8/h1-5H
InChI Key:
UBENFVCBHLLYSK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1nccc2)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.169g/mol
Monoisotopic Mass:
199.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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