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149669-42-1 | 1H-Indole, 5-bromo-3-(4-piperidinyl)-
CAS No: 149669-42-1 Catalog No: AG001LX4 MDL No:MFCD28356035
Product Description
Catalog Number:
AG001LX4
Chemical Name:
1H-Indole, 5-bromo-3-(4-piperidinyl)-
CAS Number:
149669-42-1
Molecular Formula:
C13H15BrN2
Molecular Weight:
279.1756
MDL Number:
MFCD28356035
IUPAC Name:
5-bromo-3-piperidin-4-yl-1H-indole
InChI:
InChI=1S/C13H15BrN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-2,7-9,15-16H,3-6H2
InChI Key:
MFIMYAPBXRJWMQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c[nH]2)C1CCNCC1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.181g/mol
Monoisotopic Mass:
278.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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