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Home > Indoles and Oxindole > 121138-64-5
121138-64-5 | 1H-Indole-3-carbonitrile, 5-azido-1-methyl-
CAS No: 121138-64-5 Catalog No: AG007P5I MDL No:
Product Description
Catalog Number:
AG007P5I
Chemical Name:
1H-Indole-3-carbonitrile, 5-azido-1-methyl-
CAS Number:
121138-64-5
Molecular Formula:
C10H7N5
Molecular Weight:
197.1961
IUPAC Name:
5-azido-1-methylindole-3-carbonitrile
InChI:
InChI=1S/C10H7N5/c1-15-6-7(5-11)9-4-8(13-14-12)2-3-10(9)15/h2-4,6H,1H3
InChI Key:
HQPAVWQLCDHGDB-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc2c(cn(c2cc1)C)C#N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.201g/mol
Monoisotopic Mass:
197.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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