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1167056-20-3 | 1H-Indazole-6-carbonitrile, 5-methyl-
CAS No: 1167056-20-3 Catalog No: AG000D28 MDL No:
Product Description
Catalog Number:
AG000D28
Chemical Name:
1H-Indazole-6-carbonitrile, 5-methyl-
CAS Number:
1167056-20-3
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
5-methyl-1H-indazole-6-carbonitrile
InChI:
InChI=1S/C9H7N3/c1-6-2-8-5-11-12-9(8)3-7(6)4-10/h2-3,5H,1H3,(H,11,12)
InChI Key:
JSNIACMGFQQQIX-UHFFFAOYSA-N
SMILES:
N#Cc1cc2[nH]ncc2cc1C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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