Home Carboxys 1H-Indole-2-carboxylic acid, 5-fluoro-3-iodo-, ethyl ester

1H-Indole-2-carboxylic acid, 5-fluoro-3-iodo-, ethyl ester

CAS No.:
167631-21-2
Catalog Number:
AG001XI2
Molecular Formula:
C11H9FINO2
Molecular Weight:
333.0975
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Product Description
Catalog Number:
AG001XI2
Chemical Name:
1H-Indole-2-carboxylic acid, 5-fluoro-3-iodo-, ethyl ester
CAS Number:
167631-21-2
Molecular Formula:
C11H9FINO2
Molecular Weight:
333.0975
MDL Number:
MFCD13184347
IUPAC Name:
ethyl 5-fluoro-3-iodo-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H9FINO2/c1-2-16-11(15)10-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,14H,2H2,1H3
InChI Key:
QFJIFAVZNQADDY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1I)cc(cc2)F
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.966g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.101g/mol
Monoisotopic Mass:
332.966g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties