Home Nitriles 1H-Indazole-5-acetonitrile

1H-Indazole-5-acetonitrile

CAS No.:
1000543-14-5
Catalog Number:
AG0091HS
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
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Product Description
Catalog Number:
AG0091HS
Chemical Name:
1H-Indazole-5-acetonitrile
CAS Number:
1000543-14-5
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD09924142
IUPAC Name:
2-(1H-indazol-5-yl)acetonitrile
InChI:
InChI=1S/C9H7N3/c10-4-3-7-1-2-9-8(5-7)6-11-12-9/h1-2,5-6H,3H2,(H,11,12)
InChI Key:
GQRRKEBZJBTOTM-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(c1)cn[nH]2
Properties
Complexity:
205  
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:
1  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties