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Home > Indoles and Oxindole > 827317-35-1
827317-35-1 | 1H-Indole, 6-nitro-2-(1H-pyrazol-3-yl)-
CAS No: 827317-35-1 Catalog No: AG00501B MDL No:
Product Description
Catalog Number:
AG00501B
Chemical Name:
1H-Indole, 6-nitro-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-35-1
Molecular Formula:
C11H8N4O2
Molecular Weight:
228.2068
IUPAC Name:
6-nitro-2-(1H-pyrazol-5-yl)-1H-indole
InChI:
InChI=1S/C11H8N4O2/c16-15(17)8-2-1-7-5-11(13-10(7)6-8)9-3-4-12-14-9/h1-6,13H,(H,12,14)
InChI Key:
NBFJWEMKTQOQMH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(c2)c1n[nH]cc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.211g/mol
Monoisotopic Mass:
228.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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