AG00BHNH

27311-65-5 | 1-(Chloromethyl)isoquinoline

AG00BHNH

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CAS Number	27311-65-5
Catalog Number	AG00BHNH(AGN-PC-00LJI1)
Chemical Name	1-(Chloromethyl)isoquinoline
IUPAC Name	1-(chloromethyl)isoquinoline
InChI	InChI=1S/C10H8ClN/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H,7H2
InChI Key	LSNWNTHKHQTQMT-UHFFFAOYSA-N
MDL Number	MFCD09701302
Molecular Formula	C10H8ClN
Molecular Weight	177.6302
SMILES	ClCC1=NC=CC2=C1C=CC=C2
Synonyms	1-(chloromethyl)isoquinoline, 27311-65-5, 1-CHLOROMETHYL-ISOQUINOLINE, 1-Chloromethylisoquinoline, Isoquinoline, 1-(chloromethyl)-, 1-(chloromethyl)-isoquinoline, SCHEMBL2646977, CTK8H9476, DTXSID40529407, LSNWNTHKHQTQMT-UHFFFAOYSA-N, ZINC39426345, AKOS010957154, AB51017, NE64169, AM100605, AJ-100289, DB-067762, FT-0738176, ST24037596, F1911-3827, 1-(Chloromethyl)isoquinoline, 95% - 1G 1g,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(8)
Hazard statements	H301-H311-H314-H331
Packing Group	Ⅱ
Precautionary statements	P260-P264-P270-P271-P280-P301+P310-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P311-P312-P321-P322-P330-P361-P363-P403+P233-P405-P501
Signal Words	danger
UN Code	UN 2927

Certificate of Analysis

Lot Number