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Home > Boronic Acids > 517874-22-5
517874-22-5 | 6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one
CAS No: 517874-22-5 Catalog No: AG00DKXW MDL No:MFCD22681677
Product Description
Catalog Number:
AG00DKXW
Chemical Name:
6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one
CAS Number:
517874-22-5
Molecular Formula:
C16H21BO3
Molecular Weight:
272.1471
MDL Number:
MFCD22681677
IUPAC Name:
6-(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)12-8-9-13-11(10-12)6-5-7-14(13)18/h8-10H,5-7H2,1-4H3
InChI Key:
FRCZOTWQPDOGQK-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
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
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