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1822454-85-2 | 1-Isoquinolinecarboxylic acid, 6-fluoro-1,2,3,4-tetrahydro-, ethyl ester, hydrochloride (1:1)
CAS No: 1822454-85-2 Catalog No: AG0023IB MDL No:MFCD28155351
Product Description
Catalog Number:
AG0023IB
Chemical Name:
1-Isoquinolinecarboxylic acid, 6-fluoro-1,2,3,4-tetrahydro-, ethyl ester, hydrochloride (1:1)
CAS Number:
1822454-85-2
Molecular Formula:
C12H15ClFNO2
Molecular Weight:
259.7044
MDL Number:
MFCD28155351
IUPAC Name:
ethyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate;hydrochloride
InChI:
InChI=1S/C12H14FNO2.ClH/c1-2-16-12(15)11-10-4-3-9(13)7-8(10)5-6-14-11;/h3-4,7,11,14H,2,5-6H2,1H3;1H
InChI Key:
AOYJLIMBQWIAAP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1NCCc2c1ccc(c2)F.Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.705g/mol
Monoisotopic Mass:
259.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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