AG008TRB

1109230-25-2 | 5-Bromo-3,4-dihydroisoquinolin-1(2H)-one

AG008TRB

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CAS Number	1109230-25-2
Catalog Number	AG008TRB(AGN-PC-03GVOW)
Chemical Name	5-Bromo-3,4-dihydroisoquinolin-1(2H)-one
IUPAC Name	5-bromo-3,4-dihydro-2H-isoquinolin-1-one
InChI	InChI=1S/C9H8BrNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)
InChI Key	LYXUIQHDUVHEMZ-UHFFFAOYSA-N
MDL Number	MFCD11847788
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	O=C1NCCC2=C1C=CC=C2Br
Synonyms	5-bromo-3,4-dihydroisoquinolin-1(2H)-one, 1109230-25-2, 5-bromo-1,2,3,4-tetrahydroisoquinolin-1-one, 5-Bromo-3,4-dihydro-2H-isoquinolin-1-one, SCHEMBL2999788, KS-00000ONJ, DTXSID70619067, LYXUIQHDUVHEMZ-UHFFFAOYSA-N, MFCD11847788, ZINC44185160, AKOS013602951, AB64743, CS-W006085, FS-3747, MP-0985, AK112441, AM807555, SC-14642, SY111299, AB0047178, AJ-109515, DB-024602, 4CH-010338, BB 0262099, FT-0758250, ST24029381, Z3886, 5-Bromo-3,4-dihydroisoquinolin-1(2H);-one, MFCD11847788 (95%), 5-BROMO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE, C9H8BrNO, ACN-043915, A12673, 2-chloro-3-(hydroxymethylene)cyclohex-1-enecarbaldehyde, 61010-04-6,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.073g/mol
Monoisotopic Mass	224.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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