4-BOC-6-Bromo-5-fluoro-2,3-dihydro-1,4-benzoxazine - CAS 1352318-72-9
Catalog: |
BB073907 |
Product Name: |
4-BOC-6-Bromo-5-fluoro-2,3-dihydro-1,4-benzoxazine |
CAS: |
1352318-72-9 |
Synonyms: |
4-BOC-6-Bromo-5-fluoro-2,3-dihydro-1,4-benzoxazine; tert-butyl 6-bromo-5-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylate; tert-Butyl 6-bromo-5-fluoro-2,3-dihydro-4H-1,4-benzoxazine-4-carboxylate |
IUPAC Name: | tert-butyl 6-bromo-5-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylate |
Description: | 4-BOC-6-Bromo-5-fluoro-2,3-dihydro-1,4-benzoxazine |
Molecular Weight: | 332.17 |
Molecular Formula: | C13H15BrFNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOC2=C1C(=C(C=C2)Br)F |
InChI: | InChI=1S/C13H15BrFNO3/c1-13(2,3)19-12(17)16-6-7-18-9-5-4-8(14)10(15)11(9)16/h4-5H,6-7H2,1-3H3 |
InChI Key: | JDMDEABOJMKGDQ-UHFFFAOYSA-N |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.02193 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.02193 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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