6-Chloro-8-methyl-2H-3,1-benzoxazine-2,4(1H)-dione - CAS 120374-68-7
Catalog: |
BB055533 |
Product Name: |
6-Chloro-8-methyl-2H-3,1-benzoxazine-2,4(1H)-dione |
CAS: |
120374-68-7 |
Synonyms: |
6-Chloro-8-methyl-1H-benzo[d][1,3]oxazine-2,4-dione |
IUPAC Name: | 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione |
Description: | 6-Chloro-8-methyl-2H-3,1-benzoxazine-2,4(1H)-dione is an intermediate in the synthesis of Chlorantraniliprole-D3 (C325384), an isotopic labeled compound of Chlorantraniliprole (C325380) |
Molecular Weight: | 211.6 |
Molecular Formula: | C9H6ClNO3 |
Canonical SMILES: | CC1=CC(=CC2=C1NC(=O)OC2=O)Cl |
InChI: | InChI=1S/C9H6ClNO3/c1-4-2-5(10)3-6-7(4)11-9(13)14-8(6)12/h2-3H,1H3,(H,11,13) |
InChI Key: | MBQXAIQVDKETLJ-UHFFFAOYSA-N |
Solubility: | DMSO |
Appearance: | White Solid |
References: | Lahm, G.P., et al. Bioactive. Heterocyclic. Compound. Class., 251, (2012). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
21579176 | 20100421 | 6-Chloro-8-methyl-4H-3,1-benzoxazine-2,4(1H)-dione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0036207 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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