Home Boronic Acids 1135871-91-8
1135871-91-8,MFCD27936771
Catalog No.:AA0008YV
1135871-91-8 | 7-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one
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Technical Information
Catalog Number:
AA0008YV
Chemical Name:
7-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CAS Number:
1135871-91-8
Molecular Formula:
C16H21BO3
Molecular Weight:
272.1471
MDL Number:
MFCD27936771
IUPAC Name:
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C16H21BO3/c1-15(2)16(3,4)20-17(19-15)12-9-8-11-6-5-7-14(18)13(11)10-12/h8-10H,5-7H2,1-4H3
InChI Key:
XBHJJWURTJEGGG-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.158g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.151g/mol
Monoisotopic Mass:
272.158g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1135871-91-8 
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one 
tert-butyl4-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)sulfonyl)piperidine-1-carboxylate 
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one 
7-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one 
SCHEMBL3002908 
XBHJJWURTJEGGG-UHFFFAOYSA-N 
MFCD27936771 
ZINC170008308 
1-tetralone-7-boronic acid pinacol ester 
1(2H)-Naphthalenone, 3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-2h-naphthalen-1-one 
Literature
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