AG00621E

679433-91-1 | Isoquinoline, 5-bromo-8-methoxy-

AG00621E

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CAS Number	679433-91-1
Catalog Number	AG00621E(AGN-PC-0CLNHX)
Chemical Name	Isoquinoline, 5-bromo-8-methoxy-
IUPAC Name	5-bromo-8-methoxyisoquinoline
InChI	InChI=1S/C10H8BrNO/c1-13-10-3-2-9(11)7-4-5-12-6-8(7)10/h2-6H,1H3
InChI Key	JBWGLXQEEJHTHI-UHFFFAOYSA-N
MDL Number	MFCD11846305
Molecular Formula	C10H8BrNO
Molecular Weight	238.0806
SMILES	COc1ccc(c2c1cncc2)Br
Synonyms	5-Bromo-8-methoxyisoquinoline, 679433-91-1, 5-Bromo-8-methoxy-isoquinoline, Isoquinoline, 5-bromo-8-methoxy-, SCHEMBL2381282, CTK1J2750, KS-00000TNO, DTXSID10730366, 3151AJ, MFCD11846305, ZINC82767294, AKOS022880281, ACN-045319, SB22960, AK543304, DS-19232, W-4425, C10H8BrNO,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.979g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.084g/mol
Monoisotopic Mass	236.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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