Home Carboxys methyl 5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylate

methyl 5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylate

CAS No.:
1949793-11-6
Catalog Number:
AG01B5JY
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
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Product Description
Catalog Number:
AG01B5JY
Chemical Name:
methyl 5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CAS Number:
1949793-11-6
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
MDL Number:
MFCD30476106
IUPAC Name:
methyl 5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
InChI:
InChI=1S/C11H12FNO2/c1-15-11(14)8-2-3-10(12)7-4-5-13-6-9(7)8/h2-3,13H,4-6H2,1H3
InChI Key:
GVOOQTXMCOWTGF-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:
209.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.22g/mol
Monoisotopic Mass:
209.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties