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Home > Boronic Acids > 905273-91-8
905273-91-8 | tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindoline-2-carboxyl
CAS No: 905273-91-8 Catalog No: AG00GUOE MDL No:MFCD11226842
Product Description
Catalog Number:
AG00GUOE
Chemical Name:
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindoline-2-carboxyl
CAS Number:
905273-91-8
Molecular Formula:
C19H28BNO4
Molecular Weight:
345.2409
MDL Number:
MFCD11226842
IUPAC Name:
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate
InChI:
InChI=1S/C19H28BNO4/c1-17(2,3)23-16(22)21-11-13-8-9-15(10-14(13)12-21)20-24-18(4,5)19(6,7)25-20/h8-10H,11-12H2,1-7H3
InChI Key:
GVNKCVZBPCUBLS-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cc(cc2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.211g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.246g/mol
Monoisotopic Mass:
345.211g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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