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159954-34-4 | Butanoic acid, 6-chloro-1H-indol-3-yl ester
CAS No: 159954-34-4 Catalog No: AG001RJK MDL No:MFCD00269775
Product Description
Catalog Number:
AG001RJK
Chemical Name:
Butanoic acid, 6-chloro-1H-indol-3-yl ester
CAS Number:
159954-34-4
Molecular Formula:
C12H12ClNO2
Molecular Weight:
237.6822
MDL Number:
MFCD00269775
IUPAC Name:
(6-chloro-1H-indol-3-yl) butanoate
InChI:
InChI=1S/C12H12ClNO2/c1-2-3-12(15)16-11-7-14-10-6-8(13)4-5-9(10)11/h4-7,14H,2-3H2,1H3
InChI Key:
GOEDSAJOXJKQKC-UHFFFAOYSA-N
SMILES:
CCCC(=O)Oc1c[nH]c2c1ccc(c2)Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.683g/mol
Monoisotopic Mass:
237.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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