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127792-80-7 | 1H-Indole, 5-bromo-3-(1,2,3,6-tetrahydro-4-pyridinyl)-
CAS No: 127792-80-7 Catalog No: AG000XF3 MDL No:MFCD07366543
Product Description
Catalog Number:
AG000XF3
Chemical Name:
1H-Indole, 5-bromo-3-(1,2,3,6-tetrahydro-4-pyridinyl)-
CAS Number:
127792-80-7
Molecular Formula:
C13H13BrN2
Molecular Weight:
277.1597
MDL Number:
MFCD07366543
IUPAC Name:
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
InChI:
InChI=1S/C13H13BrN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
InChI Key:
FCKKUEPMSPRIAO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c[nH]2)C1=CCNCC1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.165g/mol
Monoisotopic Mass:
276.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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