AG001FAG

147937-36-8 | Isoquinoline, 3-(chloromethyl)-

AG001FAG

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CAS Number	147937-36-8
Catalog Number	AG001FAG(AGN-PC-00JVQ5)
Chemical Name	Isoquinoline, 3-(chloromethyl)-
IUPAC Name	3-(chloromethyl)isoquinoline
InChI	InChI=1S/C10H8ClN/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H,6H2
InChI Key	RWMIUVLOQIOJGB-UHFFFAOYSA-N
MDL Number	MFCD17170389
Molecular Formula	C10H8ClN
Molecular Weight	177.6302
SMILES	ClCC1=CC2=C(C=N1)C=CC=C2
Synonyms	3-(CHLOROMETHYL)ISOQUINOLINE, 147937-36-8, AK-47007, 3-Chloromethyl-isoquinoline, SCHEMBL2908675, DTXSID80512116, Isoquinoline, 3-(chloromethyl)-, RWMIUVLOQIOJGB-UHFFFAOYSA-N, MFCD17170389, ZINC39321580, AKOS016013045, FCH1168489, MP-0897, AJ-99808, DS-14184, AX8246688, ST2417394, 4CH-012366, FT-0765818, Z4179, C10H8ClN, A3237,

Complexity	149
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	1
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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