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1260640-16-1 | 1-Isoquinolinecarboxylic acid, 6-fluoro-1,2,3,4-tetrahydro-, ethyl ester
CAS No: 1260640-16-1 Catalog No: AG000QXR MDL No:MFCD04114837
Product Description
Catalog Number:
AG000QXR
Chemical Name:
1-Isoquinolinecarboxylic acid, 6-fluoro-1,2,3,4-tetrahydro-, ethyl ester
CAS Number:
1260640-16-1
Molecular Formula:
C12H14FNO2
Molecular Weight:
223.2435
MDL Number:
MFCD04114837
IUPAC Name:
ethyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
InChI:
InChI=1S/C12H14FNO2/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
InChI Key:
HLLFYIWOQBKPIX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1NCCc2c1ccc(c2)F
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.247g/mol
Monoisotopic Mass:
223.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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