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1154319-87-5 | 1H-Indole-2-carboxylic acid, 6-(trifluoromethoxy)-, methyl ester
CAS No: 1154319-87-5 Catalog No: AG000FZG MDL No:MFCD12070772
Product Description
Catalog Number:
AG000FZG
Chemical Name:
1H-Indole-2-carboxylic acid, 6-(trifluoromethoxy)-, methyl ester
CAS Number:
1154319-87-5
Molecular Formula:
C11H8F3NO3
Molecular Weight:
259.1813
MDL Number:
MFCD12070772
IUPAC Name:
methyl 6-(trifluoromethoxy)-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H8F3NO3/c1-17-10(16)9-4-6-2-3-7(5-8(6)15-9)18-11(12,13)14/h2-5,15H,1H3
InChI Key:
OACWRRPQDLJKOA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)cc(cc2)OC(F)(F)F
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.184g/mol
Monoisotopic Mass:
259.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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