AG00374R

630421-73-7 | 1,6-dichloroisoquinoline

AG00374R

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CAS Number	630421-73-7
Catalog Number	AG00374R(AGN-PC-045T52)
Chemical Name	1,6-dichloroisoquinoline
IUPAC Name	1,6-dichloroisoquinoline
InChI	InChI=1S/C9H5Cl2N/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H
InChI Key	JTCCQIDTKFGEQY-UHFFFAOYSA-N
MDL Number	MFCD06738660
Molecular Formula	C9H5Cl2N
Molecular Weight	198.0487
SMILES	ClC1=NC=CC2=CC(=CC=C12)Cl
Synonyms	1,6-dichloroisoquinoline, 630421-73-7, 1,6-DICHLORO-ISOQUINOLINE, MFCD06738660, Isoquinoline,1,6-dichloro-, 1,6-bis(chloranyl)isoquinoline, SCHEMBL1258573, CTK5B7252, DTXSID70635121, JTCCQIDTKFGEQY-UHFFFAOYSA-N, ACT10192, ANW-64193, CL1048, ISOQUINOLINE, 1,6-DICHLORO-, ZINC36257949, AKOS006292351, AB27580, ACN-054436, KS-00000K66, AJ-92544, AK-26744, BR-26744, CJ-18881, DS-10865, SC-96205, SY041621, AB0025943, DB-073254, ST2408494, TC-152938, 4CH-013090, CS-0005445, FT-0690917, W7510, MFCD06738660 (95%), S-5881, 222146A, A834176, C9H5Cl2N,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.98g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.046g/mol
Monoisotopic Mass	196.98g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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