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1354703-91-5 | 4-Iodo-1H-pyrazole-5-carbonitrile
CAS No: 1354703-91-5 Catalog No: AG009JU9 MDL No:MFCD23135780
Product Description
Catalog Number:
AG009JU9
Chemical Name:
4-Iodo-1H-pyrazole-5-carbonitrile
CAS Number:
1354703-91-5
Molecular Formula:
C4H2IN3
Molecular Weight:
218.9832
MDL Number:
MFCD23135780
IUPAC Name:
4-iodo-1H-pyrazole-5-carbonitrile
InChI:
InChI=1S/C4H2IN3/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8)
InChI Key:
NKOSKWRTXXRPCZ-UHFFFAOYSA-N
SMILES:
Ic1cn[nH]c1C#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:
0.9
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