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114165-30-9 | Ethanone, 1-(5-bromo-3-hydroxy-1H-indol-1-yl)-
CAS No: 114165-30-9 Catalog No: AG000AOY MDL No:MFCD00152012
Product Description
Catalog Number:
AG000AOY
Chemical Name:
Ethanone, 1-(5-bromo-3-hydroxy-1H-indol-1-yl)-
CAS Number:
114165-30-9
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD00152012
IUPAC Name:
1-(5-bromo-3-hydroxyindol-1-yl)ethanone
InChI:
InChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3
InChI Key:
WOLVOYIZHIXSSE-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(O)cn2C(=O)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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