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1354703-49-3 | 4-IODO-1-METHYL-3-NITRO-1H-PYRAZOLE-5-CARBONITRILE
CAS No: 1354703-49-3 Catalog No: AG01AONJ MDL No:MFCD24539568
Product Description
Catalog Number:
AG01AONJ
Chemical Name:
4-IODO-1-METHYL-3-NITRO-1H-PYRAZOLE-5-CARBONITRILE
CAS Number:
1354703-49-3
Molecular Formula:
C5H3IN4O2
Molecular Weight:
278.0074
MDL Number:
MFCD24539568
IUPAC Name:
4-iodo-2-methyl-5-nitropyrazole-3-carbonitrile
InChI:
InChI=1S/C5H3IN4O2/c1-9-3(2-7)4(6)5(8-9)10(11)12/h1H3
InChI Key:
GLTSCIPAEIARTF-UHFFFAOYSA-N
SMILES:
N#Cc1n(C)nc(c1I)[N+](=O)[O-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.93g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.009g/mol
Monoisotopic Mass:
277.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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