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937048-76-5 | 2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
CAS No: 937048-76-5 Catalog No: AG00H36M MDL No:MFCD11044674
Product Description
Catalog Number:
AG00H36M
Chemical Name:
2(1H)-ISOQUINOLINECARBOXYLIC ACID, 3,4-DIHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
CAS Number:
937048-76-5
Molecular Formula:
C20H30BNO4
Molecular Weight:
359.2675
MDL Number:
MFCD11044674
IUPAC Name:
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-11-10-14-8-9-16(12-15(14)13-22)21-25-19(4,5)20(6,7)26-21/h8-9,12H,10-11,13H2,1-7H3
InChI Key:
UPDWDCOAUJYOTG-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cc(cc2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.227g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.273g/mol
Monoisotopic Mass:
359.227g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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