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123444-96-2 | 1H-Indole-3-acetic acid, 5,7-dichloro-, methyl ester
CAS No: 123444-96-2 Catalog No: AG000KLB MDL No:
Product Description
Catalog Number:
AG000KLB
Chemical Name:
1H-Indole-3-acetic acid, 5,7-dichloro-, methyl ester
CAS Number:
123444-96-2
Molecular Formula:
C11H9Cl2NO2
Molecular Weight:
258.1007
IUPAC Name:
methyl 2-(5,7-dichloro-1H-indol-3-yl)acetate
InChI:
InChI=1S/C11H9Cl2NO2/c1-16-10(15)2-6-5-14-11-8(6)3-7(12)4-9(11)13/h3-5,14H,2H2,1H3
InChI Key:
GRBOAYUYSPRQBO-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c[nH]c2c1cc(Cl)cc2Cl
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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