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1252686-45-5 | 1H-Indole-3-ethanamine, 6-(trifluoromethoxy)-, hydrochloride (1:1)
CAS No: 1252686-45-5 Catalog No: AG000NEH MDL No:MFCD18027183
Product Description
Catalog Number:
AG000NEH
Chemical Name:
1H-Indole-3-ethanamine, 6-(trifluoromethoxy)-, hydrochloride (1:1)
CAS Number:
1252686-45-5
Molecular Formula:
C11H12ClF3N2O
Molecular Weight:
280.6740
MDL Number:
MFCD18027183
IUPAC Name:
2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine;hydrochloride
InChI:
InChI=1S/C11H11F3N2O.ClH/c12-11(13,14)17-8-1-2-9-7(3-4-15)6-16-10(9)5-8;/h1-2,5-6,16H,3-4,15H2;1H
InChI Key:
VRBJZJNYNDUOJU-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c2c1ccc(c2)OC(F)(F)F.Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.675g/mol
Monoisotopic Mass:
280.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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