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123216-45-5 | Ethanone, 2-chloro-1-(1H-indol-6-yl)-
CAS No: 123216-45-5 Catalog No: AG000K6T MDL No:
Product Description
Catalog Number:
AG000K6T
Chemical Name:
Ethanone, 2-chloro-1-(1H-indol-6-yl)-
CAS Number:
123216-45-5
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
IUPAC Name:
2-chloro-1-(1H-indol-6-yl)ethanone
InChI:
InChI=1S/C10H8ClNO/c11-6-10(13)8-2-1-7-3-4-12-9(7)5-8/h1-5,12H,6H2
InChI Key:
JMEZBMJMDRLDLN-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc2c(c1)[nH]cc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.63g/mol
Monoisotopic Mass:
193.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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