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Home > Boronic Acids > 1356944-00-7
1356944-00-7 | 4,4,5,5-tetramethyl-2-(3-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane
CAS No: 1356944-00-7 Catalog No: AG01DVWX MDL No:MFCD29112168
Product Description
Catalog Number:
AG01DVWX
Chemical Name:
4,4,5,5-tetramethyl-2-(3-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane
CAS Number:
1356944-00-7
Molecular Formula:
C13H16BF3O4S
Molecular Weight:
336.1349
MDL Number:
MFCD29112168
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H16BF3O4S/c1-11(2)12(3,4)21-14(20-11)9-6-5-7-10(8-9)22(18,19)13(15,16)17/h5-8H,1-4H3
InChI Key:
LQUXYPJXNRMQPN-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)S(=O)(=O)C(F)(F)F
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.081g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.132g/mol
Monoisotopic Mass:
336.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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