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123028-39-7 | Ethanone, 1-(2-butyl-5-chloro-1H-indol-1-yl)-
CAS No: 123028-39-7 Catalog No: AG000K01 MDL No:
Product Description
Catalog Number:
AG000K01
Chemical Name:
Ethanone, 1-(2-butyl-5-chloro-1H-indol-1-yl)-
CAS Number:
123028-39-7
Molecular Formula:
C14H16ClNO
Molecular Weight:
249.7359
IUPAC Name:
1-(2-butyl-5-chloroindol-1-yl)ethanone
InChI:
InChI=1S/C14H16ClNO/c1-3-4-5-13-9-11-8-12(15)6-7-14(11)16(13)10(2)17/h6-9H,3-5H2,1-2H3
InChI Key:
GUNWXUUFHAGGTA-UHFFFAOYSA-N
SMILES:
CCCCc1cc2c(n1C(=O)C)ccc(c2)Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.738g/mol
Monoisotopic Mass:
249.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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