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113537-11-4 | 1H-Indole-3-acetic acid, 4,5-dichloro-, methyl ester
CAS No: 113537-11-4 Catalog No: AG0008X4 MDL No:
Product Description
Catalog Number:
AG0008X4
Chemical Name:
1H-Indole-3-acetic acid, 4,5-dichloro-, methyl ester
CAS Number:
113537-11-4
Molecular Formula:
C11H9Cl2NO2
Molecular Weight:
258.1007
IUPAC Name:
methyl 2-(4,5-dichloro-1H-indol-3-yl)acetate
InChI:
InChI=1S/C11H9Cl2NO2/c1-16-9(15)4-6-5-14-8-3-2-7(12)11(13)10(6)8/h2-3,5,14H,4H2,1H3
InChI Key:
KBDWGQQDZIXDCA-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c[nH]c2c1c(Cl)c(Cl)cc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.098g/mol
Monoisotopic Mass:
257.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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