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100821-50-9 | 1H-Indole-3-carboxylic acid, 6-chloro-, ethyl ester
CAS No: 100821-50-9 Catalog No: AG0002YI MDL No:MFCD11617105
Product Description
Catalog Number:
AG0002YI
Chemical Name:
1H-Indole-3-carboxylic acid, 6-chloro-, ethyl ester
CAS Number:
100821-50-9
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
MDL Number:
MFCD11617105
IUPAC Name:
ethyl 6-chloro-1H-indole-3-carboxylate
InChI:
InChI=1S/C11H10ClNO2/c1-2-15-11(14)9-6-13-10-5-7(12)3-4-8(9)10/h3-6,13H,2H2,1H3
InChI Key:
RZLGWHAWFSRKRB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c1ccc(c2)Cl
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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