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132502-93-3 | 1H-Indole-3-acetic acid, 2-(trifluoromethyl)-
CAS No: 132502-93-3 Catalog No: AG0010R5 MDL No:MFCD09264130
Product Description
Catalog Number:
AG0010R5
Chemical Name:
1H-Indole-3-acetic acid, 2-(trifluoromethyl)-
CAS Number:
132502-93-3
Molecular Formula:
C11H8F3NO2
Molecular Weight:
243.1819
MDL Number:
MFCD09264130
IUPAC Name:
2-[2-(trifluoromethyl)-1H-indol-3-yl]acetic acid
InChI:
InChI=1S/C11H8F3NO2/c12-11(13,14)10-7(5-9(16)17)6-3-1-2-4-8(6)15-10/h1-4,15H,5H2,(H,16,17)
InChI Key:
QZRVCUOJFCWPCW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c2ccccc2[nH]c1C(F)(F)F
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.185g/mol
Monoisotopic Mass:
243.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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