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Home > Nitro Compounds > 29005-39-8
29005-39-8 | 2H-1,2,3-Triazole, 2-(2,4-dinitrophenyl)-4-methyl-5-nitro-
CAS No: 29005-39-8 Catalog No: AG002V6K MDL No:
Product Description
Catalog Number:
AG002V6K
Chemical Name:
2H-1,2,3-Triazole, 2-(2,4-dinitrophenyl)-4-methyl-5-nitro-
CAS Number:
29005-39-8
Molecular Formula:
C9H6N6O6
Molecular Weight:
294.1805
IUPAC Name:
2-(2,4-dinitrophenyl)-4-methyl-5-nitrotriazole
InChI:
InChI=1S/C9H6N6O6/c1-5-9(15(20)21)11-12(10-5)7-3-2-6(13(16)17)4-8(7)14(18)19/h2-4H,1H3
InChI Key:
RCMDTCQQXCRLFG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])n1nc(c(n1)[N+](=O)[O-])C
NSC Number:
127455
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.035g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.183g/mol
Monoisotopic Mass:
294.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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