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89239-90-7 | 1H-Pyrazole, 1,3-dimethyl-5-(4-methyl-1H-imidazol-2-yl)-4-nitro-
CAS No: 89239-90-7 Catalog No: AG00432P MDL No:
Product Description
Catalog Number:
AG00432P
Chemical Name:
1H-Pyrazole, 1,3-dimethyl-5-(4-methyl-1H-imidazol-2-yl)-4-nitro-
CAS Number:
89239-90-7
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
IUPAC Name:
1,3-dimethyl-5-(5-methyl-1H-imidazol-2-yl)-4-nitropyrazole
InChI:
InChI=1S/C9H11N5O2/c1-5-4-10-9(11-5)8-7(14(15)16)6(2)12-13(8)3/h4H,1-3H3,(H,10,11)
InChI Key:
LJTDIUXEMPEEKB-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(n1)c1n(C)nc(c1[N+](=O)[O-])C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.22g/mol
Monoisotopic Mass:
221.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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