| CAS Number | 30482-66-7 |
| Catalog Number | AG0030AH(AGN-PC-0WANBB) |
| Chemical Name | Ethyl 6-bromo-4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazine-2-carboxylate |
| IUPAC Name | ethyl 6-bromo-4-oxo-2,3-dihydro-1,3-benzoxazine-2-carboxylate |
| InChI | InChI=1S/C11H10BrNO4/c1-2-16-11(15)10-13-9(14)7-5-6(12)3-4-8(7)17-10/h3-5,10H,2H2,1H3,(H,13,14) |
| InChI Key | UFFGFPKMQUHRCR-UHFFFAOYSA-N |
| MDL Number | MFCD27952666 |
| Molecular Formula | C11H10BrNO4 |
| Molecular Weight | 300.1054 |
| SMILES | CCOC(=O)C1NC(=O)C2=CC(Br)=CC=C2O1 |
| Synonyms | Ethyl 6-bromo-4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazine-2-carboxylate,
30482-66-7,
AK147717,
KS-00000S5O,
MFCD27952666,
DS-8789,
AX8285127,
2H-1,3-Benzoxazine-2-carboxylic acid, 6-bromo-3,4-dihydro-4-oxo-, ethyl ester,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.108g/mol |
| Monoisotopic Mass | 298.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number