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1354705-66-0 | 4-IODO-1,5-DIMETHYL-3-NITRO-1H-PYRAZOLE
CAS No: 1354705-66-0 Catalog No: AG01AONG MDL No:MFCD24539555
Product Description
Catalog Number:
AG01AONG
Chemical Name:
4-IODO-1,5-DIMETHYL-3-NITRO-1H-PYRAZOLE
CAS Number:
1354705-66-0
Molecular Formula:
C5H6IN3O2
Molecular Weight:
267.0245
MDL Number:
MFCD24539555
IUPAC Name:
4-iodo-1,5-dimethyl-3-nitropyrazole
InChI:
InChI=1S/C5H6IN3O2/c1-3-4(6)5(9(10)11)7-8(3)2/h1-2H3
InChI Key:
AIOZUEMLIBWQDV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(c(c1I)C)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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