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Home > Nitro Compounds > 1167056-44-1

1167056-44-1

1167056-44-1 | 1H-Indazole-4-carbonitrile, 5-nitro-

CAS No: 1167056-44-1 Catalog No: AG000D2Y MDL No:

Product Description

Catalog Number:
AG000D2Y
Chemical Name:
1H-Indazole-4-carbonitrile, 5-nitro-
CAS Number:
1167056-44-1
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
IUPAC Name:
5-nitro-1H-indazole-4-carbonitrile
InChI:
InChI=1S/C8H4N4O2/c9-3-5-6-4-10-11-7(6)1-2-8(5)12(13)14/h1-2,4H,(H,10,11)
InChI Key:
BMZQXYFYQUGBKI-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccc2c1cn[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:
1.1  

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