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Home > Boronic Acids > 1007847-76-8
1007847-76-8 | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(2-thienylmethyl)phenyl]-
CAS No: 1007847-76-8 Catalog No: AG0002W1 MDL No:MFCD11841077
Product Description
Catalog Number:
AG0002W1
Chemical Name:
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(2-thienylmethyl)phenyl]-
CAS Number:
1007847-76-8
Molecular Formula:
C17H21BO2S
Molecular Weight:
300.2234
MDL Number:
MFCD11841077
IUPAC Name:
4,4,5,5-tetramethyl-2-[4-(thiophen-2-ylmethyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C17H21BO2S/c1-16(2)17(3,4)20-18(19-16)14-9-7-13(8-10-14)12-15-6-5-11-21-15/h5-11H,12H2,1-4H3
InChI Key:
OPJUSDABOPHYPQ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)Cc1cccs1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.223g/mol
Monoisotopic Mass:
300.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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