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87844-46-0 | 1H-Pyrazole, 1-hydroxy-4-iodo-
CAS No: 87844-46-0 Catalog No: AG004GZA MDL No:
Product Description
Catalog Number:
AG004GZA
Chemical Name:
1H-Pyrazole, 1-hydroxy-4-iodo-
CAS Number:
87844-46-0
Molecular Formula:
C3H3IN2O
Molecular Weight:
209.9732
IUPAC Name:
1-hydroxy-4-iodopyrazole
InChI:
InChI=1S/C3H3IN2O/c4-3-1-5-6(7)2-3/h1-2,7H
InChI Key:
SEJBISGBNFHBFD-UHFFFAOYSA-N
SMILES:
On1cc(cn1)I
Properties
Complexity:
70
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.929g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.974g/mol
Monoisotopic Mass:
209.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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