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Home > Boronic Acids > 949922-33-2
949922-33-2 | 2(1H)-Isoquinolineaceticacid, 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,1,1-dimethylethyl ester
CAS No: 949922-33-2 Catalog No: AG00IIOB MDL No:
Product Description
Catalog Number:
AG00IIOB
Chemical Name:
2(1H)-Isoquinolineaceticacid, 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,1,1-dimethylethyl ester
CAS Number:
949922-33-2
Molecular Formula:
C21H32BNO4
Molecular Weight:
373.2941
IUPAC Name:
tert-butyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetate
InChI:
InChI=1S/C21H32BNO4/c1-19(2,3)25-18(24)14-23-11-10-15-12-17(9-8-16(15)13-23)22-26-20(4,5)21(6,7)27-22/h8-9,12H,10-11,13-14H2,1-7H3
InChI Key:
FWTDDAJMZAKMQX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CN1CCc2c(C1)ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.242g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.3g/mol
Monoisotopic Mass:
373.242g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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