Home Carboxys methyl 6-fluoroisoquinoline-8-carboxylate

methyl 6-fluoroisoquinoline-8-carboxylate

CAS No.:
1909319-57-8
Catalog Number:
AG01C44C
Molecular Formula:
C11H8FNO2
Molecular Weight:
205.1851
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Product Description
Catalog Number:
AG01C44C
Chemical Name:
methyl 6-fluoroisoquinoline-8-carboxylate
CAS Number:
1909319-57-8
Molecular Formula:
C11H8FNO2
Molecular Weight:
205.1851
MDL Number:
MFCD29763002
IUPAC Name:
methyl 6-fluoroisoquinoline-8-carboxylate
InChI:
InChI=1S/C11H8FNO2/c1-15-11(14)9-5-8(12)4-7-2-3-13-6-10(7)9/h2-6H,1H3
InChI Key:
ZOKHMAZZCLPADH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cc2c1cncc2
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.054g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.188g/mol
Monoisotopic Mass:
205.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties