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1260740-83-7 | 1H-Indole-2-carboxylic acid, 6-chloro-4-fluoro-, ethyl ester
CAS No: 1260740-83-7 Catalog No: AG000R2X MDL No:
Product Description
Catalog Number:
AG000R2X
Chemical Name:
1H-Indole-2-carboxylic acid, 6-chloro-4-fluoro-, ethyl ester
CAS Number:
1260740-83-7
Molecular Formula:
C11H9ClFNO2
Molecular Weight:
241.6461
IUPAC Name:
ethyl 6-chloro-4-fluoro-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H9ClFNO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3
InChI Key:
WSJJRTXJRYCINM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)cc(cc2F)Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.646g/mol
Monoisotopic Mass:
241.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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