Home Carboxys ethyl 3-amino-4-fluoro-1-methyl-1H-indole-2-carboxylate

ethyl 3-amino-4-fluoro-1-methyl-1H-indole-2-carboxylate

CAS No.:
812675-56-2
Catalog Number:
AG01EJPA
Molecular Formula:
C12H13FN2O2
Molecular Weight:
236.2422
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Product Description
Catalog Number:
AG01EJPA
Chemical Name:
ethyl 3-amino-4-fluoro-1-methyl-1H-indole-2-carboxylate
CAS Number:
812675-56-2
Molecular Formula:
C12H13FN2O2
Molecular Weight:
236.2422
MDL Number:
MFCD31617055
IUPAC Name:
ethyl 3-amino-4-fluoro-1-methylindole-2-carboxylate
InChI:
InChI=1S/C12H13FN2O2/c1-3-17-12(16)11-10(14)9-7(13)5-4-6-8(9)15(11)2/h4-6H,3,14H2,1-2H3
InChI Key:
OBVTTZRRMNZFOJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)c2c(n1C)cccc2F
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.096g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.246g/mol
Monoisotopic Mass:
236.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties