3,4-Dihydro-2H-1,4-benzoxazine-6-boronic acid - CAS 338454-17-4
Catalog: |
BB067462 |
Product Name: |
3,4-Dihydro-2H-1,4-benzoxazine-6-boronic acid |
CAS: |
338454-17-4 |
Synonyms: |
(3,4-Dihydro-2H-benzo[b][1,4]oxazin-6-yl)boronic acid; 3,4-Dihydro-2H-1,4-benzoxazine-6-boronic acid; 3,4-dihydro-2H-1,4-benzoxazin-6-ylboronic acid; 3,4-Dihydro-2H-benzo[1,4]oxazine-6-boronic acid; (3,4-Dihydro-2H-benzo-[b][1,4]oxazin-6-yl)boronic acid; (3,4-Dihydro-2H-benzo[b][1,4]oxazin-6-yl)boronicacid |
IUPAC Name: | 3,4-dihydro-2H-1,4-benzoxazin-6-ylboronic acid |
Description: | 3,4-Dihydro-2H-1,4-benzoxazine-6-boronic acid |
Molecular Weight: | 178.98 |
Molecular Formula: | C8H10BNO3 |
Canonical SMILES: | B(C1=CC2=C(C=C1)OCCN2)(O)O |
InChI: | InChI=1S/C8H10BNO3/c11-9(12)6-1-2-8-7(5-6)10-3-4-13-8/h1-2,5,10-12H,3-4H2 |
InChI Key: | XLLHJXPSEPKXEQ-UHFFFAOYSA-N |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0753733 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0753733 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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