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311773-51-0 | 5-IODO-1-METHYL-4-NITRO-1H-PYRAZOLE
CAS No: 311773-51-0 Catalog No: AG01AOP8 MDL No:MFCD24540506
Product Description
Catalog Number:
AG01AOP8
Chemical Name:
5-IODO-1-METHYL-4-NITRO-1H-PYRAZOLE
CAS Number:
311773-51-0
Molecular Formula:
C4H4IN3O2
Molecular Weight:
252.9979
MDL Number:
MFCD24540506
IUPAC Name:
5-iodo-1-methyl-4-nitropyrazole
InChI:
InChI=1S/C4H4IN3O2/c1-7-4(5)3(2-6-7)8(9)10/h2H,1H3
InChI Key:
DBQKTIXJELFFJL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1I)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.935g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.999g/mol
Monoisotopic Mass:
252.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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