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Home > Nitro Compounds > 1245772-60-4
1245772-60-4 | 1-methyl-3-nitro-1H-pyrazole-5-carboxamide
CAS No: 1245772-60-4 Catalog No: AG00JG44 MDL No:MFCD18262311
Product Description
Catalog Number:
AG00JG44
Chemical Name:
1-methyl-3-nitro-1H-pyrazole-5-carboxamide
CAS Number:
1245772-60-4
Molecular Formula:
C5H6N4O3
Molecular Weight:
170.1261
MDL Number:
MFCD18262311
IUPAC Name:
2-methyl-5-nitropyrazole-3-carboxamide
InChI:
InChI=1S/C5H6N4O3/c1-8-3(5(6)10)2-4(7-8)9(11)12/h2H,1H3,(H2,6,10)
InChI Key:
KAXXUUUYVUKDKF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(c(c1)C(=O)N)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.128g/mol
Monoisotopic Mass:
170.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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