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Home > Boronic Acids > 1029438-23-0
1029438-23-0 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol
CAS No: 1029438-23-0 Catalog No: AG009624 MDL No:MFCD22493520
Product Description
Catalog Number:
AG009624
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol
CAS Number:
1029438-23-0
Molecular Formula:
C12H17BO2S
Molecular Weight:
236.1382
MDL Number:
MFCD22493520
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol
InChI:
InChI=1S/C12H17BO2S/c1-11(2)12(3,4)15-13(14-11)9-5-7-10(16)8-6-9/h5-8,16H,1-4H3
InChI Key:
RQGLRPJSYBTXLH-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)S
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.136g/mol
Monoisotopic Mass:
236.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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