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Home > Indoles and Oxindole > 827316-61-0
827316-61-0 | 1H-Indole, 2-(1H-pyrazol-3-yl)-
CAS No: 827316-61-0 Catalog No: AG00501S MDL No:
Product Description
Catalog Number:
AG00501S
Chemical Name:
1H-Indole, 2-(1H-pyrazol-3-yl)-
CAS Number:
827316-61-0
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
IUPAC Name:
2-(1H-pyrazol-5-yl)-1H-indole
InChI:
InChI=1S/C11H9N3/c1-2-4-9-8(3-1)7-11(13-9)10-5-6-12-14-10/h1-7,13H,(H,12,14)
InChI Key:
MZASQQDCQLEXBR-UHFFFAOYSA-N
SMILES:
c1[nH]nc(c1)c1cc2c([nH]1)cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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