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1791389-22-4

1791389-22-4 | 4-iodo-1,3-dimethyl-5-nitro-1H-pyrazole

CAS No: 1791389-22-4 Catalog No: AG01AOSX MDL No:MFCD28155635

Product Description

Catalog Number:
AG01AOSX
Chemical Name:
4-iodo-1,3-dimethyl-5-nitro-1H-pyrazole
CAS Number:
1791389-22-4
Molecular Formula:
C5H6IN3O2
Molecular Weight:
267.0245
MDL Number:
MFCD28155635
IUPAC Name:
4-iodo-1,3-dimethyl-5-nitropyrazole
InChI:
InChI=1S/C5H6IN3O2/c1-3-4(6)5(9(10)11)8(2)7-3/h1-2H3
InChI Key:
OMMJQSPZRMWAEP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n(C)nc(c1I)C

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.95g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.026g/mol
Monoisotopic Mass:
266.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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