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Home > Nitro Compounds > 87953-99-9
87953-99-9 | 4-Cinnolinecarbonitrile, 3-nitro-
CAS No: 87953-99-9 Catalog No: AG004GA8 MDL No:
Product Description
Catalog Number:
AG004GA8
Chemical Name:
4-Cinnolinecarbonitrile, 3-nitro-
CAS Number:
87953-99-9
Molecular Formula:
C9H4N4O2
Molecular Weight:
200.1537
IUPAC Name:
3-nitrocinnoline-4-carbonitrile
InChI:
InChI=1S/C9H4N4O2/c10-5-7-6-3-1-2-4-8(6)11-12-9(7)13(14)15/h1-4H
InChI Key:
OYMKDTIKLZKLLE-UHFFFAOYSA-N
SMILES:
N#Cc1c(nnc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.157g/mol
Monoisotopic Mass:
200.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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