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Home > Boronic Acids > 1256255-96-5
1256255-96-5 | 2H-1,4-Benzoxazine, 8-fluoro-3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1256255-96-5 Catalog No: AG000NYF MDL No:MFCD18383444
Product Description
Catalog Number:
AG000NYF
Chemical Name:
2H-1,4-Benzoxazine, 8-fluoro-3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256255-96-5
Molecular Formula:
C14H19BFNO3
Molecular Weight:
279.1150
MDL Number:
MFCD18383444
IUPAC Name:
8-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
InChI:
InChI=1S/C14H19BFNO3/c1-13(2)14(3,4)20-15(19-13)9-7-10(16)12-11(8-9)17-5-6-18-12/h7-8,17H,5-6H2,1-4H3
InChI Key:
ZTWAVJTUGMWQJT-UHFFFAOYSA-N
SMILES:
Fc1cc(cc2c1OCCN2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.144g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.118g/mol
Monoisotopic Mass:
279.144g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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