Vitas-M small molecule compound
4,5-dichloro-2-(2,4,6-trinitrophenoxy)phenol
Catalog ID
STK007636
SMILES Oc1cc(Cl)c(cc1Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C12H5Cl2N3O8 MW 390.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H5Cl2N3O8/c13-6-3-10(18)11(4-7(6)14)25-12-8(16(21)22)1-5(15(19)20)2-9(12)17(23)24/h1-4,18HInChIKey
JNVVRIXCLDPGIR-UHFFFAOYSA-NSynonyms
45DICHLORO2(246TRINITROPHENOXY)PHENOL
C1=C(C=C(C(=C1(N+)(=O)(O))OC2=CC(=C(C=C2O)Cl)Cl)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H5Cl2N3O8c136310(18)11(47(6)14)25128(16(21)22)15(15(19)20)29(12)17(23)24h1418H
MFCD00380163
Oc1cc(Cl)c(cc1Oc1c(cc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))Cl
STK007636
ZINC000101382206
ZINC101382206
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