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89607-16-9 | 1H-Pyrazol-4-amine, 1-methyl-5-nitro-
CAS No: 89607-16-9 Catalog No: AG003WU9 MDL No:
Product Description
Catalog Number:
AG003WU9
Chemical Name:
1H-Pyrazol-4-amine, 1-methyl-5-nitro-
CAS Number:
89607-16-9
Molecular Formula:
C4H6N4O2
Molecular Weight:
142.1160
IUPAC Name:
1-methyl-5-nitropyrazol-4-amine
InChI:
InChI=1S/C4H6N4O2/c1-7-4(8(9)10)3(5)2-6-7/h2H,5H2,1H3
InChI Key:
DZHKSYCPRIBWJJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)cnn1C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.118g/mol
Monoisotopic Mass:
142.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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