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1159822-98-6 | 1H-Indole-3-ethanamine, 4-fluoro-, hydrochloride (1:1)
CAS No: 1159822-98-6 Catalog No: AG000HB2 MDL No:
Product Description
Catalog Number:
AG000HB2
Chemical Name:
1H-Indole-3-ethanamine, 4-fluoro-, hydrochloride (1:1)
CAS Number:
1159822-98-6
Molecular Formula:
C10H12ClFN2
Molecular Weight:
214.6671
IUPAC Name:
2-(4-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C10H11FN2.ClH/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9;/h1-3,6,13H,4-5,12H2;1H
InChI Key:
PLUPFHCRDIKLCL-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c2c1c(F)ccc2.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
214.668g/mol
Monoisotopic Mass:
214.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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