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tert-Butyl 6-Amino-5-fluoro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

tert-Butyl 6-Amino-5-fluoro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate - CAS 912846-57-2

Catalog:	BB071103
Product Name:	tert-Butyl 6-Amino-5-fluoro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CAS:	912846-57-2
Synonyms:	tert-butyl 6-amino-5-fluoro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate; tert-butyl 6-amino-5-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate; tert-butyl6-amino-5-fluoro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

Technical Data

Computed Properties

IUPAC Name:	tert-butyl 6-amino-5-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular Weight:	266.31
Molecular Formula:	C14H19N2O2F
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2F)N
InChI:	InChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-7-6-10-9(8-17)4-5-11(16)12(10)15/h4-5H,6-8,16H2,1-3H3
InChI Key:	YKXRKPVVUCTORJ-UHFFFAOYSA-N

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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:	55.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1