AG007Y7W

1532-91-8 | 4-Chloroisoquinoline

AG007Y7W

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CAS Number	1532-91-8
Catalog Number	AG007Y7W(AGN-PC-0JU7K5)
Chemical Name	4-Chloroisoquinoline
IUPAC Name	4-chloroisoquinoline
InChI	InChI=1S/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChI Key	LBEQEEIDWHKVAR-UHFFFAOYSA-N
MDL Number	MFCD00234490
Molecular Formula	C9H6ClN
Molecular Weight	163.6036
SMILES	ClC1=CN=CC2=CC=CC=C12
Synonyms	4-chloroisoquinoline, 1532-91-8, 4-Chloro-isoquinoline, isoquinoline, 4-chloro-, AC1LD1W2, KSC173M1N, SCHEMBL197273, CTK0H3616, KS-00000HIK, DTXSID40348837, LBEQEEIDWHKVAR-UHFFFAOYSA-N, ZINC331147, ACT10504, ANW-51130, MFCD00234490, AKOS006272210, CC-1991, CS-W019128, FS-2933, QC-9346, RP22646, RTC-061989, AC-23135, AJ-19406, AK-28809, AN-49397, BR-28809, CJ-02783, EN002215, SC-41611, AB0022470, DB-028830, ST2411365, TC-061989, 4CH-008141, FT-0645844, W3341, A26436, S-5285, 532C918, I08-0331, J-515154, InChI=1/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6, Isoquinolin-1-amine, 4-Chloro isoquinoline, C9H6ClN, ACN-S004714, CID640974,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.604g/mol
Monoisotopic Mass	163.019g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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