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Home > Nitro Compounds > 1190322-60-1
1190322-60-1 | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-nitro-
CAS No: 1190322-60-1 Catalog No: AG000I1H MDL No:
Product Description
Catalog Number:
AG000I1H
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-nitro-
CAS Number:
1190322-60-1
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
IUPAC Name:
3-nitro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H4N4O2/c9-2-5-1-6-7(12(13)14)4-11-8(6)10-3-5/h1,3-4H,(H,10,11)
InChI Key:
SZBJRFGDPRDISY-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)c(c[nH]2)[N+](=O)[O-]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.146g/mol
Monoisotopic Mass:
188.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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