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116286-73-8 | 1H-Indole-3-acetic acid, 1-(2,2,2-trifluoroacetyl)-
CAS No: 116286-73-8 Catalog No: AG000C3Z MDL No:
Product Description
Catalog Number:
AG000C3Z
Chemical Name:
1H-Indole-3-acetic acid, 1-(2,2,2-trifluoroacetyl)-
CAS Number:
116286-73-8
Molecular Formula:
C12H8F3NO3
Molecular Weight:
271.1920
IUPAC Name:
2-[1-(2,2,2-trifluoroacetyl)indol-3-yl]acetic acid
InChI:
InChI=1S/C12H8F3NO3/c13-12(14,15)11(19)16-6-7(5-10(17)18)8-3-1-2-4-9(8)16/h1-4,6H,5H2,(H,17,18)
InChI Key:
WSSIEEFRYSSLLC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cn(c2c1cccc2)C(=O)C(F)(F)F
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.195g/mol
Monoisotopic Mass:
271.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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