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1354705-16-0 | 1-ETHYL-4-IODO-5-NITRO-1H-PYRAZOLE
CAS No: 1354705-16-0 Catalog No: AG01AONF MDL No:MFCD24539554
Product Description
Catalog Number:
AG01AONF
Chemical Name:
1-ETHYL-4-IODO-5-NITRO-1H-PYRAZOLE
CAS Number:
1354705-16-0
Molecular Formula:
C5H6IN3O2
Molecular Weight:
267.0245
MDL Number:
MFCD24539554
IUPAC Name:
1-ethyl-4-iodo-5-nitropyrazole
InChI:
InChI=1S/C5H6IN3O2/c1-2-8-5(9(10)11)4(6)3-7-8/h3H,2H2,1H3
InChI Key:
DKBRZMMBQDVXTC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(I)cnn1CC
Properties
Complexity:
160
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:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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