AG00BJ52

24188-78-1 | 1-Chloro-4-methylisoquinoline

AG00BJ52

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CAS Number	24188-78-1
Catalog Number	AG00BJ52(AGN-PC-0WAN4U)
Chemical Name	1-Chloro-4-methylisoquinoline
IUPAC Name	1-chloro-4-methylisoquinoline
InChI	InChI=1S/C10H8ClN/c1-7-6-12-10(11)9-5-3-2-4-8(7)9/h2-6H,1H3
InChI Key	VQGCJKJYRGWVHE-UHFFFAOYSA-N
MDL Number	MFCD18448753
Molecular Formula	C10H8ClN
Molecular Weight	177.6302
SMILES	CC1=CN=C(Cl)C2=C1C=CC=C2
Synonyms	1-Chloro-4-methylisoquinoline, 24188-78-1, Isoquinoline, 1-chloro-4-methyl-, SCHEMBL1536589, KS-00000RRU, DTXSID30623867, VQGCJKJYRGWVHE-UHFFFAOYSA-N, MFCD18448753, ZINC82766573, AKOS006373450, DS-6097, SB21327, AK138773, DA-07774, AJ-125579, FT-0718405,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.631g/mol
Monoisotopic Mass	177.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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