AG000MC1

1245647-25-9 | Isoquinoline, 5-bromo-1-chloro-6-methyl-

AG000MC1

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CAS Number	1245647-25-9
Catalog Number	AG000MC1(AGN-PC-07YNGK)
Chemical Name	Isoquinoline, 5-bromo-1-chloro-6-methyl-
IUPAC Name	5-bromo-1-chloro-6-methylisoquinoline
InChI	InChI=1S/C10H7BrClN/c1-6-2-3-8-7(9(6)11)4-5-13-10(8)12/h2-5H,1H3
InChI Key	FUUICJNIZASIEL-UHFFFAOYSA-N
MDL Number	MFCD09264576
Molecular Formula	C10H7BrClN
Molecular Weight	256.5263
SMILES	CC1=C(Br)C2=C(C=C1)C(Cl)=NC=C2
Synonyms	5-bromo-1-chloro-6-methylisoquinoline, 1245647-25-9, AK-40482, 5-Bromo-1-chloro-6-methyl-isoquinoline, CTK8D3767, KS-00000HWM, DTXSID00676729, BCP08154, 4634AA, MFCD09264576, ZINC64033964, AKOS015842244, CS-W022297, FCH1392069, DS-13572, SC-33911, Isoquinoline, 5-bromo-1-chloro-6-methyl-, AJ-114699, AX8161701, TC-069582, 4CH-000184, FT-0728054, ST24044366, I08-0373, S14-1982, C10H7BrClN, ACN-038846,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.945g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.527g/mol
Monoisotopic Mass	254.945g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number