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75092-34-1 | 4-iodo-1-methyl-3-nitro-1H-pyrazole
CAS No: 75092-34-1 Catalog No: AG00JE62 MDL No:MFCD00465281
Product Description
Catalog Number:
AG00JE62
Chemical Name:
4-iodo-1-methyl-3-nitro-1H-pyrazole
CAS Number:
75092-34-1
Molecular Formula:
C4H4IN3O2
Molecular Weight:
252.9979
MDL Number:
MFCD00465281
IUPAC Name:
4-iodo-1-methyl-3-nitropyrazole
InChI:
InChI=1S/C4H4IN3O2/c1-7-2-3(5)4(6-7)8(9)10/h2H,1H3
InChI Key:
JEPMYVGWQWTBSZ-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)[N+](=O)[O-])I
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:
1
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