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Home > Indoles and Oxindole > 827317-38-4
827317-38-4 | 1H-Indole, 5-methyl-2-(1H-pyrazol-3-yl)-
CAS No: 827317-38-4 Catalog No: AG004V4S MDL No:
Product Description
Catalog Number:
AG004V4S
Chemical Name:
1H-Indole, 5-methyl-2-(1H-pyrazol-3-yl)-
CAS Number:
827317-38-4
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
IUPAC Name:
5-methyl-2-(1H-pyrazol-5-yl)-1H-indole
InChI:
InChI=1S/C12H11N3/c1-8-2-3-10-9(6-8)7-12(14-10)11-4-5-13-15-11/h2-7,14H,1H3,(H,13,15)
InChI Key:
KQIFIIIOFYMMJK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc([nH]2)c1n[nH]cc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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