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Home > Boronic Acids > 1123661-15-3
1123661-15-3 | 8-(Phenylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
CAS No: 1123661-15-3 Catalog No: AG007BAD MDL No:MFCD23135588
Product Description
Catalog Number:
AG007BAD
Chemical Name:
8-(Phenylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
CAS Number:
1123661-15-3
Molecular Formula:
C20H28BNO2
Molecular Weight:
325.2528
MDL Number:
MFCD23135588
IUPAC Name:
8-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
InChI:
InChI=1S/C20H28BNO2/c1-19(2)20(3,4)24-21(23-19)16-12-17-10-11-18(13-16)22(17)14-15-8-6-5-7-9-15/h5-9,12,17-18H,10-11,13-14H2,1-4H3
InChI Key:
AQWMRAYHNZESJP-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)C1=CC2N(C(C1)CC2)Cc1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.221g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.259g/mol
Monoisotopic Mass:
325.221g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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