Home Carboxys 6-Fluoroquinoline-3-carboxylic acid ethyl ester

6-Fluoroquinoline-3-carboxylic acid ethyl ester

CAS No.:
71083-14-2
Catalog Number:
AG00FHBL
Molecular Formula:
C12H10FNO2
Molecular Weight:
219.2117
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Product Description
Catalog Number:
AG00FHBL
Chemical Name:
6-Fluoroquinoline-3-carboxylic acid ethyl ester
CAS Number:
71083-14-2
Molecular Formula:
C12H10FNO2
Molecular Weight:
219.2117
MDL Number:
MFCD14704942
IUPAC Name:
ethyl 6-fluoroquinoline-3-carboxylate
InChI:
InChI=1S/C12H10FNO2/c1-2-16-12(15)9-5-8-6-10(13)3-4-11(8)14-7-9/h3-7H,2H2,1H3
InChI Key:
NWHUAEQBXFNORT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cc(F)ccc2nc1
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.07g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.215g/mol
Monoisotopic Mass:
219.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties