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88609-22-7 | Quinoline, 8-azido-6-nitro-
CAS No: 88609-22-7 Catalog No: AG004A69 MDL No:
Product Description
Catalog Number:
AG004A69
Chemical Name:
Quinoline, 8-azido-6-nitro-
CAS Number:
88609-22-7
Molecular Formula:
C9H5N5O2
Molecular Weight:
215.1683
IUPAC Name:
8-azido-6-nitroquinoline
InChI:
InChI=1S/C9H5N5O2/c10-13-12-8-5-7(14(15)16)4-6-2-1-3-11-9(6)8/h1-5H
InChI Key:
NYBDRMSWBYKIKO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc(cc2c1nccc2)[N+](=O)[O-]
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.172g/mol
Monoisotopic Mass:
215.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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