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Home > Nitro Compounds > 102170-61-6
102170-61-6 | 2-Quinolinecarbonitrile, 3-nitro-
CAS No: 102170-61-6 Catalog No: AG0006TA MDL No:
Product Description
Catalog Number:
AG0006TA
Chemical Name:
2-Quinolinecarbonitrile, 3-nitro-
CAS Number:
102170-61-6
Molecular Formula:
C10H5N3O2
Molecular Weight:
199.1656
IUPAC Name:
3-nitroquinoline-2-carbonitrile
InChI:
InChI=1S/C10H5N3O2/c11-6-9-10(13(14)15)5-7-3-1-2-4-8(7)12-9/h1-5H
InChI Key:
NIYRSXCXRBMWRL-UHFFFAOYSA-N
SMILES:
N#Cc1nc2ccccc2cc1[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:
2.1
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