Home Halogens 1H-Indole-2-carboxylic acid, 4,7-dichloro-, ethyl ester

1H-Indole-2-carboxylic acid, 4,7-dichloro-, ethyl ester

CAS No.:
104115-70-0
Catalog Number:
AG00HAAB
Molecular Formula:
C11H9Cl2NO2
Molecular Weight:
258.1007
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Product Description
Catalog Number:
AG00HAAB
Chemical Name:
1H-Indole-2-carboxylic acid, 4,7-dichloro-, ethyl ester
CAS Number:
104115-70-0
Molecular Formula:
C11H9Cl2NO2
Molecular Weight:
258.1007
MDL Number:
MFCD04966955
IUPAC Name:
ethyl 4,7-dichloro-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)9-5-6-7(12)3-4-8(13)10(6)14-9/h3-5,14H,2H2,1H3
InChI Key:
OQJPFGFLIIVSLF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)c(Cl)ccc2Cl
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:
3.9  
Properties