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Home > Boronic Acids > 864136-41-4
864136-41-4 | 3-(N-BOC-Piperidin-4-yloxy)phenylboronic acid pinacol ester
CAS No: 864136-41-4 Catalog No: AG00IE1S MDL No:MFCD22683477
Product Description
Catalog Number:
AG00IE1S
Chemical Name:
3-(N-BOC-Piperidin-4-yloxy)phenylboronic acid pinacol ester
CAS Number:
864136-41-4
Molecular Formula:
C22H34BNO5
Molecular Weight:
403.3201
MDL Number:
MFCD22683477
IUPAC Name:
tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate
InChI:
InChI=1S/C22H34BNO5/c1-20(2,3)27-19(25)24-13-11-17(12-14-24)26-18-10-8-9-16(15-18)23-28-21(4,5)22(6,7)29-23/h8-10,15,17H,11-14H2,1-7H3
InChI Key:
FPMZJNWAOXERIF-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Oc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.253g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.326g/mol
Monoisotopic Mass:
403.253g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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