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Home > Boronic Acids > 955978-82-2
955978-82-2 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indole
CAS No: 955978-82-2 Catalog No: AG00IJ7R MDL No:MFCD17215882
Product Description
Catalog Number:
AG00IJ7R
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indole
CAS Number:
955978-82-2
Molecular Formula:
C15H17BF3NO2
Molecular Weight:
311.1072
MDL Number:
MFCD17215882
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indole
InChI:
InChI=1S/C15H17BF3NO2/c1-13(2)14(3,4)22-16(21-13)11-7-9(15(17,18)19)8-12-10(11)5-6-20-12/h5-8,20H,1-4H3
InChI Key:
MMDAPXPYKCPQRN-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(cc2c1cc[nH]2)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:
311.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.111g/mol
Monoisotopic Mass:
311.13g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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