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Home > Boronic Acids > 837392-61-7
837392-61-7 | 1H-Indole,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-
CAS No: 837392-61-7 Catalog No: AG00IDBN MDL No:MFCD20226769
Product Description
Catalog Number:
AG00IDBN
Chemical Name:
1H-Indole,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-
CAS Number:
837392-61-7
Molecular Formula:
C15H17BF3NO2
Molecular Weight:
311.1072
MDL Number:
MFCD20226769
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-1H-indole
InChI:
InChI=1S/C15H17BF3NO2/c1-13(2)14(3,4)22-16(21-13)10-5-6-11-9(7-10)8-12(20-11)15(17,18)19/h5-8,20H,1-4H3
InChI Key:
RKTJALSAZJUXFA-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)cc([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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