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4522-35-4 | 1H-Pyrazole, 3-iodo-
CAS No: 4522-35-4 Catalog No: AG0002RA MDL No:MFCD12022324
Product Description
Catalog Number:
AG0002RA
Chemical Name:
1H-Pyrazole, 3-iodo-
CAS Number:
4522-35-4
Molecular Formula:
C3H3IN2
Molecular Weight:
193.9738
MDL Number:
MFCD12022324
IUPAC Name:
5-iodo-1H-pyrazole
InChI:
InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChI Key:
RUKDVLFJSMVBLV-UHFFFAOYSA-N
SMILES:
Ic1cc[nH]n1
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.934g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.975g/mol
Monoisotopic Mass:
193.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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