6-Amino-7-fluoro-3,4-dihydro-2(1H)-Isoquinolinecarboxylic Acid 1,1-Dimethylethyl Ester - CAS 912846-68-5
Catalog: |
BB061358 |
Product Name: |
6-Amino-7-fluoro-3,4-dihydro-2(1H)-Isoquinolinecarboxylic Acid 1,1-Dimethylethyl Ester |
CAS: |
912846-68-5 |
Synonyms: |
tert-Butyl 6-amino-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate; tert-butyl 6-amino-7-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate; 6-Amino-7-fluoro-3,4-dihydro-2(1H)-Isoquinolinecarboxylic Acid 1,1-Dimethylethyl Ester; 1,1-Dimethylethyl 6-amino-7-fluoro-3,4-dihydro-2(1H)-isoquinolinecarboxylate |
IUPAC Name: | tert-butyl 6-amino-7-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Molecular Weight: | 266.31 |
Molecular Formula: | C14H19FN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1)F)N |
InChI: | InChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-5-4-9-7-12(16)11(15)6-10(9)8-17/h6-7H,4-5,8,16H2,1-3H3 |
InChI Key: | SKNYBTIRSWCZMQ-UHFFFAOYSA-N |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.14305602 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.14305602 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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