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Home > Indoles and Oxindole > 827317-31-7
827317-31-7 | 1H-Indole-5-carbonitrile, 2-(1H-pyrazol-3-yl)-
CAS No: 827317-31-7 Catalog No: AG004V4T MDL No:
Product Description
Catalog Number:
AG004V4T
Chemical Name:
1H-Indole-5-carbonitrile, 2-(1H-pyrazol-3-yl)-
CAS Number:
827317-31-7
Molecular Formula:
C12H8N4
Molecular Weight:
208.2187
IUPAC Name:
2-(1H-pyrazol-5-yl)-1H-indole-5-carbonitrile
InChI:
InChI=1S/C12H8N4/c13-7-8-1-2-10-9(5-8)6-12(15-10)11-3-4-14-16-11/h1-6,15H,(H,14,16)
InChI Key:
RLGIOXYGBSLSIE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc([nH]2)c1n[nH]cc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.224g/mol
Monoisotopic Mass:
208.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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