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113537-12-5 | 1H-Indole-3-acetic acid, 5,6-dichloro-, butyl ester
CAS No: 113537-12-5 Catalog No: AG0008X3 MDL No:
Product Description
Catalog Number:
AG0008X3
Chemical Name:
1H-Indole-3-acetic acid, 5,6-dichloro-, butyl ester
CAS Number:
113537-12-5
Molecular Formula:
C14H15Cl2NO2
Molecular Weight:
300.1804
IUPAC Name:
butyl 2-(5,6-dichloro-1H-indol-3-yl)acetate
InChI:
InChI=1S/C14H15Cl2NO2/c1-2-3-4-19-14(18)5-9-8-17-13-7-12(16)11(15)6-10(9)13/h6-8,17H,2-5H2,1H3
InChI Key:
ZWNTXHJYOSPBMW-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Cc1c[nH]c2c1cc(Cl)c(c2)Cl
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.179g/mol
Monoisotopic Mass:
299.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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