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Home > Fluorides > 180411-84-1
180411-84-1 | 1H-Indole, 6-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1)
CAS No: 180411-84-1 Catalog No: AG0021ZL MDL No:MFCD08751726
Product Description
Catalog Number:
AG0021ZL
Chemical Name:
1H-Indole, 6-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1)
CAS Number:
180411-84-1
Molecular Formula:
C13H16ClFN2
Molecular Weight:
254.7309
MDL Number:
MFCD08751726
IUPAC Name:
6-fluoro-3-piperidin-4-yl-1H-indole;hydrochloride
InChI:
InChI=1S/C13H15FN2.ClH/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9;/h1-2,7-9,15-16H,3-6H2;1H
InChI Key:
XQLCTWVCYXQHAI-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]cc2C1CCNCC1.Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.733g/mol
Monoisotopic Mass:
254.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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