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Home > Boronic Acids > 1315351-28-0
1315351-28-0 | Carbamic acid, N-[5-bromo-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1315351-28-0 Catalog No: AG000ZD8 MDL No:MFCD08063056
Product Description
Catalog Number:
AG000ZD8
Chemical Name:
Carbamic acid, N-[5-bromo-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1315351-28-0
Molecular Formula:
C17H26BBrN2O4
Molecular Weight:
413.1143
MDL Number:
MFCD08063056
IUPAC Name:
tert-butyl N-[5-bromo-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
InChI:
InChI=1S/C17H26BBrN2O4/c1-10-12(19)9-11(18-24-16(5,6)17(7,8)25-18)13(20-10)21-14(22)23-15(2,3)4/h9H,1-8H3,(H,20,21,22)
InChI Key:
LROLIRRLJWPKIL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nc(C)c(cc1B1OC(C(O1)(C)C)(C)C)Br
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.119g/mol
Monoisotopic Mass:
412.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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