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Home > Boronic Acids > 1256784-52-7
1256784-52-7 | 1,4-BENZOXAZEPINE-4(5H)-CARBOXYLIC ACID, 2,3-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
CAS No: 1256784-52-7 Catalog No: AG000OCS MDL No:MFCD14582651
Product Description
Catalog Number:
AG000OCS
Chemical Name:
1,4-BENZOXAZEPINE-4(5H)-CARBOXYLIC ACID, 2,3-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
CAS Number:
1256784-52-7
Molecular Formula:
C20H30BNO5
Molecular Weight:
375.2669
MDL Number:
MFCD14582651
IUPAC Name:
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
InChI:
InChI=1S/C20H30BNO5/c1-18(2,3)25-17(23)22-10-11-24-16-9-8-15(12-14(16)13-22)21-26-19(4,5)20(6,7)27-21/h8-9,12H,10-11,13H2,1-7H3
InChI Key:
IIQHCFMPFOYEGW-UHFFFAOYSA-N
SMILES:
O=C(N1CCOc2c(C1)cc(cc2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.222g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.272g/mol
Monoisotopic Mass:
375.222g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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