| CAS Number | 2007909-33-1 |
| Catalog Number | AG01DFIM |
| Chemical Name | methyl 2-(2,4-dichlorophenyl)-3,4-dihydro-2h-benzo[b][1,4]oxazine-6-carboxylate |
| IUPAC Name | methyl 2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate |
| InChI | InChI=1S/C16H13Cl2NO3/c1-21-16(20)9-2-5-14-13(6-9)19-8-15(22-14)11-4-3-10(17)7-12(11)18/h2-7,15,19H,8H2,1H3 |
| InChI Key | NDPLWEVRTZYPAT-UHFFFAOYSA-N |
| MDL Number | MFCD28992217 |
| Molecular Formula | C16H13Cl2NO3 |
| Molecular Weight | 338.1853 |
| SMILES | COC(=O)C1=CC2=C(OC(CN2)C2=CC=C(Cl)C=C2Cl)C=C1 |
| Synonyms | METHYL 2-(2,4-DICHLOROPHENYL)-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE,
2007909-33-1,
MFCD28992217,
AS-54988,
CS-0039712,
2H-1,4-Benzoxazine-6-carboxylic acid, 2-(2,4-dichlorophenyl)-3,4-dihydro-, methyl ester,
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| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.184g/mol |
| Monoisotopic Mass | 337.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number