AG003DJF

7742-73-6 | 1,3-Dichloroisoquinoline

AG003DJF

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CAS Number	7742-73-6
Catalog Number	AG003DJF(AGN-PC-0JPGO2)
Chemical Name	1,3-Dichloroisoquinoline
IUPAC Name	1,3-dichloroisoquinoline
InChI	InChI=1S/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H
InChI Key	BRGZEQXWZWBPJH-UHFFFAOYSA-N
MDL Number	MFCD00034750
Molecular Formula	C9H5Cl2N
Molecular Weight	198.0487
NSC Number	170843
SMILES	ClC1=CC2=C(C(Cl)=N1)C=CC=C2
Synonyms	1,3-dichloroisoquinoline, 7742-73-6, 1,3-Dichloro-isoquinoline, isoquinoline, 1,3-dichloro-, MFCD00034750, 1,3-Dichloroisoquinoline, 97%, NSC170843, PubChem7254, AC1L6TED, AC1Q3KOB, 1, 3-Dichloroisoquinoline, ACMC-209p9x, AC1Q3KS3, KSC493Q3B, SCHEMBL165745, CTK3J3830, DTXSID20305468, BRGZEQXWZWBPJH-UHFFFAOYSA-N, ZINC331717, ACT04273, ALBB-021285, KS-00000DK4, ANW-37027, CD-620, CL1001, SBB003563, WT1331, AKOS001208897, AC-7548, ACN-034825, AN-1250, CM14209, CS-W002162, LS20299, MCULE-9858780938, NSC-170843, PB17073, RP04154, RTC-068677, TRA0004595, 7742-73-6 1,3-dichloroisoquinoline, AJ-19456, AK-28004, AS-15997, BP-12423, BR-28004, CJ-02806, EN000007, SC-06749, SY007666, ZB010586, AB0007447, ST2414815, TC-068677, 4CH-013637, A9799, D4285, FT-0602168, TL80090996, UX00003652, EN300-23800, MFCD00034750 (97%), B-5213, 742D736, AC-907/25014223, J-503896, S08-0036, InChI=1/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5, C9H5Cl2N, CID298625, R763, 1,3-Dichloroisoquinoline, 97% - 1g 1g, C2874,

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	4

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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