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Home Carboxys tert-butyl 3-(cyanomethyl)-6-fluoro-1H-indole-1-carboxylate

tert-butyl 3-(cyanomethyl)-6-fluoro-1H-indole-1-carboxylate

CAS No.:
1219945-14-8
Catalog Number:
AG01BRSK
Molecular Formula:
C15H15FN2O2
Molecular Weight:
274.2902
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Product Description
Catalog Number:
AG01BRSK
Chemical Name:
tert-butyl 3-(cyanomethyl)-6-fluoro-1H-indole-1-carboxylate
CAS Number:
1219945-14-8
Molecular Formula:
C15H15FN2O2
Molecular Weight:
274.2902
MDL Number:
MFCD30535870
IUPAC Name:
tert-butyl 3-(cyanomethyl)-6-fluoroindole-1-carboxylate
InChI:
InChI=1S/C15H15FN2O2/c1-15(2,3)20-14(19)18-9-10(6-7-17)12-5-4-11(16)8-13(12)18/h4-5,8-9H,6H2,1-3H3
InChI Key:
IGEXLMJUNKYYSO-UHFFFAOYSA-N
SMILES:
N#CCc1cn(c2c1ccc(c2)F)C(=O)OC(C)(C)C
Properties
Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.112g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.295g/mol
Monoisotopic Mass:
274.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties