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827316-44-9 | 3-Iodo-1H-pyrazole-4-carbonitrile
CAS No: 827316-44-9 Catalog No: AG00501W MDL No:MFCD22393462
Product Description
Catalog Number:
AG00501W
Chemical Name:
3-Iodo-1H-pyrazole-4-carbonitrile
CAS Number:
827316-44-9
Molecular Formula:
C4H2IN3
Molecular Weight:
218.9832
MDL Number:
MFCD22393462
IUPAC Name:
5-iodo-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C4H2IN3/c5-4-3(1-6)2-7-8-4/h2H,(H,7,8)
InChI Key:
JEISIEQLHQZCOF-UHFFFAOYSA-N
SMILES:
Ic1n[nH]cc1C#N
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.929g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.985g/mol
Monoisotopic Mass:
218.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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