Home Carboxys methyl 5-fluoroisoquinoline-8-carboxylate

methyl 5-fluoroisoquinoline-8-carboxylate

CAS No.:
1532191-07-3
Catalog Number:
AG01B5JX
Molecular Formula:
C11H8FNO2
Molecular Weight:
205.1851
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Product Description
Catalog Number:
AG01B5JX
Chemical Name:
methyl 5-fluoroisoquinoline-8-carboxylate
CAS Number:
1532191-07-3
Molecular Formula:
C11H8FNO2
Molecular Weight:
205.1851
MDL Number:
MFCD22100015
IUPAC Name:
methyl 5-fluoroisoquinoline-8-carboxylate
InChI:
InChI=1S/C11H8FNO2/c1-15-11(14)8-2-3-10(12)7-4-5-13-6-9(7)8/h2-6H,1H3
InChI Key:
VPSMVCRBABTURF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1cncc2)F
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