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Home > Nitro Compounds > 199274-90-3
199274-90-3 | 1H-Indazole-7-acetonitrile, 6-nitro-
CAS No: 199274-90-3 Catalog No: AG002BZX MDL No:
Product Description
Catalog Number:
AG002BZX
Chemical Name:
1H-Indazole-7-acetonitrile, 6-nitro-
CAS Number:
199274-90-3
Molecular Formula:
C9H6N4O2
Molecular Weight:
202.1695
IUPAC Name:
2-(6-nitro-1H-indazol-7-yl)acetonitrile
InChI:
InChI=1S/C9H6N4O2/c10-4-3-7-8(13(14)15)2-1-6-5-11-12-9(6)7/h1-2,5H,3H2,(H,11,12)
InChI Key:
NUXWZOWOIWNELP-UHFFFAOYSA-N
SMILES:
N#CCc1c(ccc2c1[nH]nc2)[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:
202.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.173g/mol
Monoisotopic Mass:
202.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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