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101714-15-2 | 1H-Indazole-3-acetonitrile
CAS No: 101714-15-2 Catalog No: AG0005A8 MDL No:MFCD17010077
Product Description
Catalog Number:
AG0005A8
Chemical Name:
1H-Indazole-3-acetonitrile
CAS Number:
101714-15-2
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD17010077
IUPAC Name:
2-(2H-indazol-3-yl)acetonitrile
InChI:
InChI=1S/C9H7N3/c10-6-5-9-7-3-1-2-4-8(7)11-12-9/h1-4H,5H2,(H,11,12)
InChI Key:
LCCXBLLWPANQHU-UHFFFAOYSA-N
SMILES:
N#CCc1n[nH]c2c1cccc2
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:
1.2
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