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Home > Nitro Compounds > 5334-39-4
5334-39-4 | 3-Methyl-4-nitro-1H-pyrazole
CAS No: 5334-39-4 Catalog No: AG003JPZ MDL No:MFCD00037864
Product Description
Catalog Number:
AG003JPZ
Chemical Name:
3-Methyl-4-nitro-1H-pyrazole
CAS Number:
5334-39-4
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD00037864
IUPAC Name:
5-methyl-4-nitro-1H-pyrazole
InChI:
InChI=1S/C4H5N3O2/c1-3-4(7(8)9)2-5-6-3/h2H,1H3,(H,5,6)
InChI Key:
WTZYTQJELOHMMJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]nc1C
NSC Number:
1410
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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