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7- Bromo- 5- fluoro- 1, 2, 3, 4- tetrahydroisoquinoli n- 1- one

7- Bromo- 5- fluoro- 1, 2, 3, 4- tetrahydroisoquinoli n- 1- one - CAS 1341674-79-0

Catalog:	BB062190
Product Name:	7- Bromo- 5- fluoro- 1, 2, 3, 4- tetrahydroisoquinoli n- 1- one
CAS:	1341674-79-0
Synonyms:	7-Bromo-5-fluoro-3,4-dihydroisoquinolin-1(2H)-one; 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinolin-1-one; 7-bromo-5-fluoro-3,4-dihydro-2H-isoquinolin-1-one

Technical Data

Computed Properties

IUPAC Name:	7-bromo-5-fluoro-3,4-dihydro-2H-isoquinolin-1-one
Molecular Weight:	244.06
Molecular Formula:	C9H7BrFNO
Canonical SMILES:	C1CNC(=O)C2=C1C(=CC(=C2)Br)F
InChI:	InChI=1S/C9H7BrFNO/c10-5-3-7-6(8(11)4-5)1-2-12-9(7)13/h3-4H,1-2H2,(H,12,13)
InChI Key:	SWDNXUOHYHBRNG-UHFFFAOYSA-N

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Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.9695
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.9695
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2