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199658-92-9 | 1,2-Ethanedione, 1-(5-bromo-1H-indol-3-yl)-2-(1-pyrrolidinyl)-
CAS No: 199658-92-9 Catalog No: AG002C8Q MDL No:
Product Description
Catalog Number:
AG002C8Q
Chemical Name:
1,2-Ethanedione, 1-(5-bromo-1H-indol-3-yl)-2-(1-pyrrolidinyl)-
CAS Number:
199658-92-9
Molecular Formula:
C14H13BrN2O2
Molecular Weight:
321.1692
IUPAC Name:
1-(5-bromo-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
InChI:
InChI=1S/C14H13BrN2O2/c15-9-3-4-12-10(7-9)11(8-16-12)13(18)14(19)17-5-1-2-6-17/h3-4,7-8,16H,1-2,5-6H2
InChI Key:
WDCRWMFQABHAKT-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cc(Br)cc2)C(=O)N1CCCC1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.016g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.174g/mol
Monoisotopic Mass:
320.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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