Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)
aniline;1,3,5-trinitrobenzene
Also Known As: Caswell No. 894|Trinitrobenzene-aniline complex|Trinitrobenzene - aniline complex|1,3,5-Trinitrobenzene aniline salt|Aniline complex with trinitrobenzene|Aniline compound with s-trinitrobenzene|aniline,1,3,5-trinitrobenzene|EPA Pesticide Chemical Code 056503|aniline; 1,3,5-trinitrobenzene|Aniline compd. with s-trinitrobenzene (1:1)|Aniline-1,3,5-trinitrobenzene 1:1 complex|Aniline,3,5-trinitrobenzene (1:1)|Benzenamine,3,5-trinitrobenzene (1:1)|Aniline--1,3,5-trinitrobenzene (1/1)|Aniline-1,5-trinitrobenzene 1:1 complex|Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)|Aniline, compd. with 1,3,5-trinitrobenzene (1:1)|Aniline, compd. with 1,3,5-trinitrobenzene (1:1) (8CI)
| Molecular Formula | C12H10N4O6 |
|---|---|
| Molecular Weight | 306.06003 g/mol |
| LogP | 2.68 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.06003 |
| Monoisotopic Mass | 306.06003 |
| Heavy Atoms | 22 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 3101-79-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OWNIKMONWNDTAV-UHFFFAOYSA-N |
Product Overview
Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1) (CAS 3101-79-9), with molecular formula C12H10N4O6 and molecular weight 306.06003 g/mol. IUPAC: aniline;1,3,5-trinitrobenzene.