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1395443-08-9 | 1H-Pyrazole, 3-iodo-4-nitro-
CAS No: 1395443-08-9 Catalog No: AG001B73 MDL No:MFCD25976491
Product Description
Catalog Number:
AG001B73
Chemical Name:
1H-Pyrazole, 3-iodo-4-nitro-
CAS Number:
1395443-08-9
Molecular Formula:
C3H2IN3O2
Molecular Weight:
238.9714
MDL Number:
MFCD25976491
IUPAC Name:
5-iodo-4-nitro-1H-pyrazole
InChI:
InChI=1S/C3H2IN3O2/c4-3-2(7(8)9)1-5-6-3/h1H,(H,5,6)
InChI Key:
AHUVQFQJTKBFOI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]nc1I
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.919g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.972g/mol
Monoisotopic Mass:
238.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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