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Home > Boronic Acids > 1184850-41-6
1184850-41-6 | Benzo[b]thiophene, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-
CAS No: 1184850-41-6 Catalog No: AG000IVE MDL No:MFCD11110419
Product Description
Catalog Number:
AG000IVE
Chemical Name:
Benzo[b]thiophene, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-
CAS Number:
1184850-41-6
Molecular Formula:
C15H16BF3O2S
Molecular Weight:
328.1575
MDL Number:
MFCD11110419
IUPAC Name:
4,4,5,5-tetramethyl-2-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C15H16BF3O2S/c1-13(2)14(3,4)21-16(20-13)12-8-9-7-10(15(17,18)19)5-6-11(9)22-12/h5-8H,1-4H3
InChI Key:
PTGDBDNGKFAFLZ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc2c(s1)ccc(c2)C(F)(F)F
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.092g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.156g/mol
Monoisotopic Mass:
328.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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