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Home > Boronic Acids > 1333319-53-1
1333319-53-1 | Carbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, phenylmethyl ester
CAS No: 1333319-53-1 Catalog No: AG0014OJ MDL No:
Product Description
Catalog Number:
AG0014OJ
Chemical Name:
Carbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, phenylmethyl ester
CAS Number:
1333319-53-1
Molecular Formula:
C19H23BN2O4
Molecular Weight:
354.2079
IUPAC Name:
benzyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
InChI:
InChI=1S/C19H23BN2O4/c1-18(2)19(3,4)26-20(25-18)15-10-11-21-16(12-15)22-17(23)24-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,21,22,23)
InChI Key:
PKHYDIRMFMDPLN-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccc(c1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.175g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.213g/mol
Monoisotopic Mass:
354.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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