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Home > Boronic Acids > 1086600-36-3
1086600-36-3 | tert-butyl 2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenethylcarbaMate
CAS No: 1086600-36-3 Catalog No: AG009604 MDL No:MFCD22415451
Product Description
Catalog Number:
AG009604
Chemical Name:
tert-butyl 2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenethylcarbaMate
CAS Number:
1086600-36-3
Molecular Formula:
C19H30BNO4
Molecular Weight:
347.2568
MDL Number:
MFCD22415451
IUPAC Name:
tert-butyl N-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
InChI:
InChI=1S/C19H30BNO4/c1-17(2,3)23-16(22)21-13-12-14-10-8-9-11-15(14)20-24-18(4,5)19(6,7)25-20/h8-11H,12-13H2,1-7H3,(H,21,22)
InChI Key:
WADCCZWZIKUZGB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1ccccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.227g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.262g/mol
Monoisotopic Mass:
347.227g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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