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Home > Nitro Compounds > 13789-04-3
13789-04-3 | 1H-Pyrazole, 1-(2,4-dinitrophenyl)-4,5-dimethyl-
CAS No: 13789-04-3 Catalog No: AG00141D MDL No:
Product Description
Catalog Number:
AG00141D
Chemical Name:
1H-Pyrazole, 1-(2,4-dinitrophenyl)-4,5-dimethyl-
CAS Number:
13789-04-3
Molecular Formula:
C11H10N4O4
Molecular Weight:
262.2215
IUPAC Name:
1-(2,4-dinitrophenyl)-4,5-dimethylpyrazole
InChI:
InChI=1S/C11H10N4O4/c1-7-6-12-13(8(7)2)10-4-3-9(14(16)17)5-11(10)15(18)19/h3-6H,1-2H3
InChI Key:
NYZKYLRZVDRIJB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1n1ncc(c1C)C)[N+](=O)[O-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.225g/mol
Monoisotopic Mass:
262.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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