AG007YFH

15298-58-5 | 1,4-Dichloroisoquinoline

AG007YFH

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CAS Number	15298-58-5
Catalog Number	AG007YFH(AGN-PC-0JU7JM)
Chemical Name	1,4-Dichloroisoquinoline
IUPAC Name	1,4-dichloroisoquinoline
InChI	InChI=1S/C9H5Cl2N/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H
InChI Key	HAOKHVBZPIURMZ-UHFFFAOYSA-N
MDL Number	MFCD05664199
Molecular Formula	C9H5Cl2N
Molecular Weight	198.0487
SMILES	C1=C(Cl)C2=C(C(=N1)Cl)C=CC=C2
Synonyms	1,4-dichloroisoquinoline, 15298-58-5, AK-33427, J-503987, AC1LD1UC, 1,4-dichloro-isoquinoline, 1,4 - Dichloroisoquinoline, Isoquinoline,1,4-dichloro-, isoquinoline, 1,4-dichloro-, SCHEMBL196720, CTK4C7652, KS-00000KCU, DTXSID30348826, ACT01932, ZINC2548208, ANW-52271, CL1002, FCH850151, MFCD05664199, AKOS006294695, DS-0825, RP25590, AC-23194, AJ-39501, BR-33427, CJ-09318, SC-34227, AB0005266, AX8032058, DB-063967, ST2414861, TR-006311, 4CH-013296, AM20050828, CS-0018947, FT-0690893, UX00004631, W3335, S-5919, I08-0399, InChI=1/C9H5Cl2N/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5, C9H5Cl2N, CID640955,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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