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89239-14-5 | 1H-Pyrazole, 5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethyl-4-nitro-
CAS No: 89239-14-5 Catalog No: AG0042SZ MDL No:
Product Description
Catalog Number:
AG0042SZ
Chemical Name:
1H-Pyrazole, 5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethyl-4-nitro-
CAS Number:
89239-14-5
Molecular Formula:
C8H11N5O2
Molecular Weight:
209.2052
IUPAC Name:
5-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethyl-4-nitropyrazole
InChI:
InChI=1S/C8H11N5O2/c1-5-6(13(14)15)7(12(2)11-5)8-9-3-4-10-8/h3-4H2,1-2H3,(H,9,10)
InChI Key:
YXHDKOBPOQJSEK-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1C1=NCCN1)[N+](=O)[O-])C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.209g/mol
Monoisotopic Mass:
209.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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