Home Carboxys methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

CAS No.:
2007908-42-9
Catalog Number:
AG00BIXY
Molecular Formula:
C11H13ClFNO2
Molecular Weight:
245.6778
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Product Description
Catalog Number:
AG00BIXY
Chemical Name:
methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
CAS Number:
2007908-42-9
Molecular Formula:
C11H13ClFNO2
Molecular Weight:
245.6778
MDL Number:
MFCD30471543
IUPAC Name:
methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride
InChI:
InChI=1S/C11H12FNO2.ClH/c1-15-11(14)10-9-3-2-8(12)6-7(9)4-5-13-10;/h2-3,6,10,13H,4-5H2,1H3;1H
InChI Key:
CUONHCFNFRTXAO-UHFFFAOYSA-N
SMILES:
COC(=O)C1NCCc2c1ccc(c2)F.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.678g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties