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Home > Boronic Acids > 1161362-35-1
1161362-35-1 | 4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester
CAS No: 1161362-35-1 Catalog No: AG000BP9 MDL No:MFCD16036418
Product Description
Catalog Number:
AG000BP9
Chemical Name:
4H-1,4-Benzoxazine-4-carboxylic acid, 2,3-dihydro-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester
CAS Number:
1161362-35-1
Molecular Formula:
C19H28BNO5
Molecular Weight:
361.2403
MDL Number:
MFCD16036418
IUPAC Name:
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
InChI:
InChI=1S/C19H28BNO5/c1-17(2,3)24-16(22)21-10-11-23-15-9-8-13(12-14(15)21)20-25-18(4,5)19(6,7)26-20/h8-9,12H,10-11H2,1-7H3
InChI Key:
FEZPAKAAFAMGRA-UHFFFAOYSA-N
SMILES:
O=C(N1CCOc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.206g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.245g/mol
Monoisotopic Mass:
361.206g/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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