4-Boc-6-bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine - CAS 719310-31-3
Catalog: |
BB034501 |
Product Name: |
4-Boc-6-bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine |
CAS: |
719310-31-3 |
Synonyms: |
6-bromo-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid tert-butyl ester; tert-butyl 6-bromo-2,3-dihydro-1,4-benzoxazine-4-carboxylate |
IUPAC Name: | tert-butyl 6-bromo-2,3-dihydro-1,4-benzoxazine-4-carboxylate |
Description: | 4-Boc-6-bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine (CAS# 719310-31-3 ) is a useful research chemical. |
Molecular Weight: | 314.18 |
Molecular Formula: | C13H16BrNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C13H16BrNO3/c1-13(2,3)18-12(16)15-6-7-17-11-5-4-9(14)8-10(11)15/h4-5,8H,6-7H2,1-3H3 |
InChI Key: | JOFHRALTEXLLIC-UHFFFAOYSA-N |
LogP: | 3.64800 |
Publication Number | Title | Priority Date |
WO-2020061255-A1 | Activating pyruvate kinase r | 20180919 |
WO-2020061261-A1 | Inhibiting ubiquitin specific peptidase 9x | 20180919 |
CN-113164571-A | Inhibition of ubiquitin-specific peptidase 9X | 20180919 |
CN-113226356-A | Activating pyruvate kinase R | 20180919 |
KR-20210061400-A | Inhibition of ubiquitin specific peptidase 9X | 20180919 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.03136 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.03136 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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