| CAS Number | 1021859-84-6 |
| Catalog Number | AG0006TS(AGN-PC-0CSDSO) |
| Chemical Name | ethyl 8-bromo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| IUPAC Name | ethyl 8-bromo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| InChI | InChI=1S/C11H12BrNO3/c1-2-15-11(14)9-6-13-8-5-3-4-7(12)10(8)16-9/h3-5,9,13H,2,6H2,1H3 |
| InChI Key | HVLQSHBSZNHJCZ-UHFFFAOYSA-N |
| MDL Number | MFCD27992132 |
| Molecular Formula | C11H12BrNO3 |
| Molecular Weight | 286.1219 |
| SMILES | CCOC(C1OC2=C(C=CC=C2Br)NC1)=O |
| Synonyms | 1021859-84-6,
ethyl 8-bromo-3,4-dihydro-2h-benzo[b][1,4]oxazine-2-carboxylate,
SCHEMBL3207330,
HVLQSHBSZNHJCZ-UHFFFAOYSA-N,
MFCD27992132,
2H-1,4-Benzoxazine-2-carboxylic acid, 8-bromo-3,4-dihydro-, ethyl ester,
Thieno[3,2-c]pyridine,
ACN-046191,
8-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid ethyl ester,
272-14-0,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.125g/mol |
| Monoisotopic Mass | 285g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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