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885278-27-3 | 5-Iodo-1H-indazole-3-carbonitrile
CAS No: 885278-27-3 Catalog No: AG0089AS MDL No:MFCD07371568
Product Description
Catalog Number:
AG0089AS
Chemical Name:
5-Iodo-1H-indazole-3-carbonitrile
CAS Number:
885278-27-3
Molecular Formula:
C8H4IN3
Molecular Weight:
269.0419
MDL Number:
MFCD07371568
IUPAC Name:
5-iodo-1H-indazole-3-carbonitrile
InChI:
InChI=1S/C8H4IN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
InChI Key:
URWUCPSDBLQGSH-UHFFFAOYSA-N
SMILES:
Ic1cc2c(n[nH]c2cc1)C#N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.045g/mol
Monoisotopic Mass:
268.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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