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139718-50-6 | 1H-Indole, 5-bromo-1-(4-fluorophenyl)-3-(4-piperidinyl)-
CAS No: 139718-50-6 Catalog No: AG001BJO MDL No:
Product Description
Catalog Number:
AG001BJO
Chemical Name:
1H-Indole, 5-bromo-1-(4-fluorophenyl)-3-(4-piperidinyl)-
CAS Number:
139718-50-6
Molecular Formula:
C19H18BrFN2
Molecular Weight:
373.2620
IUPAC Name:
5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole
InChI:
InChI=1S/C19H18BrFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10H2
InChI Key:
XWZIKVLTJDVQEM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCNCC1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.269g/mol
Monoisotopic Mass:
372.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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