AG00537I

78509-29-2 | Quinoline, 4-chloro-2,7,8-trimethyl-

AG00537I

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CAS Number	78509-29-2
Catalog Number	AG00537I(AGN-PC-015NDU)
Chemical Name	Quinoline, 4-chloro-2,7,8-trimethyl-
IUPAC Name	4-chloro-2,7,8-trimethylquinoline
InChI	InChI=1S/C12H12ClN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3
InChI Key	NDTSUKTWPJRMAV-UHFFFAOYSA-N
MDL Number	MFCD08848190
Molecular Formula	C12H12ClN
Molecular Weight	205.6834
SMILES	ClC1=CC(=NC2=C(C(=CC=C12)C)C)C
Synonyms	4-chloro-2,7,8-trimethylquinoline, 78509-29-2, Quinoline, 4-chloro-2,7,8-trimethyl-, CTK2G5221, DTXSID40587946, 2,7,8-Trimethyl-4-chloroquinoline, MFCD08848190, SBB014659, STK691858, ZINC11757232, AKOS002683331, AB49058, MCULE-3967563787, NCGC00342676-01, ST4140324, T6666, 4-Chloro-2,7,8-trimethylquinoline, AldrichCPR, AB01333901-02,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.066g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.685g/mol
Monoisotopic Mass	205.066g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H318-H413
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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