AG009ZUY

1339780-81-2 | 6-Bromo-8-Fluoro-1,2,3,4-Tetrahydroisoquinoline

AG009ZUY

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CAS Number	1339780-81-2
Catalog Number	AG009ZUY(AGN-PC-0WOB7W)
Chemical Name	6-Bromo-8-Fluoro-1,2,3,4-Tetrahydroisoquinoline
IUPAC Name	6-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline
InChI	InChI=1S/C9H9BrFN/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h3-4,12H,1-2,5H2
InChI Key	PYEHFROKBCYAIV-UHFFFAOYSA-N
MDL Number	MFCD20318954
Molecular Formula	C9H9BrFN
Molecular Weight	230.0769
SMILES	Fc1c2c(cc(c1)Br)CCNC2
Synonyms	6-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline, 1339780-81-2, SCHEMBL15778844, MFCD20318954, ZINC70652873, AKOS013709866, ACN-049038, AS-43438, F8881-2904, Z1948934678,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.99g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.08g/mol
Monoisotopic Mass	228.99g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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