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Home > Bromides > 2055841-48-8
2055841-48-8 | Ethanone, 1-(6-bromo-1H-indol-4-yl)-
CAS No: 2055841-48-8 Catalog No: AG002A7V MDL No:
Product Description
Catalog Number:
AG002A7V
Chemical Name:
Ethanone, 1-(6-bromo-1H-indol-4-yl)-
CAS Number:
2055841-48-8
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
IUPAC Name:
1-(6-bromo-1H-indol-4-yl)ethanone
InChI:
InChI=1S/C10H8BrNO/c1-6(13)9-4-7(11)5-10-8(9)2-3-12-10/h2-5,12H,1H3
InChI Key:
QUWJTKCSBBYHRZ-UHFFFAOYSA-N
SMILES:
Brc1cc(C(=O)C)c2c(c1)[nH]cc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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