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1260757-13-8 | 1H-Indole-3-carboxylic acid, 7-chloro-, ethyl ester
CAS No: 1260757-13-8 Catalog No: AG000R3O MDL No:MFCD11617106
Product Description
Catalog Number:
AG000R3O
Chemical Name:
1H-Indole-3-carboxylic acid, 7-chloro-, ethyl ester
CAS Number:
1260757-13-8
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
MDL Number:
MFCD11617106
IUPAC Name:
ethyl 7-chloro-1H-indole-3-carboxylate
InChI:
InChI=1S/C11H10ClNO2/c1-2-15-11(14)8-6-13-10-7(8)4-3-5-9(10)12/h3-6,13H,2H2,1H3
InChI Key:
OEHWMSNKVGVIGD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c1cccc2Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.656g/mol
Monoisotopic Mass:
223.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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