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Home > Boronic Acids > 875558-27-3
875558-27-3 | 1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester (9CI)
CAS No: 875558-27-3 Catalog No: AG00H2AL MDL No:
Product Description
Catalog Number:
AG00H2AL
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester (9CI)
CAS Number:
875558-27-3
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)indol-2-yl]boronic acid
InChI:
InChI=1S/C14H15BF3NO4/c1-13(2,3)23-12(20)19-10-7-9(14(16,17)18)5-4-8(10)6-11(19)15(21)22/h4-7,21-22H,1-3H3
InChI Key:
FXNZYZHHJULUHU-UHFFFAOYSA-N
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.082g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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