AG00D8ID

49713-56-6 | 4-Chloro-6-(trifluoromethyl)quinoline

AG00D8ID

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CAS Number	49713-56-6
Catalog Number	AG00D8ID(AGN-PC-0KK80N)
Chemical Name	4-Chloro-6-(trifluoromethyl)quinoline
IUPAC Name	4-chloro-6-(trifluoromethyl)quinoline
InChI	InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H
InChI Key	FTNQANJWBFKPIP-UHFFFAOYSA-N
MDL Number	MFCD00153106
Molecular Formula	C10H5ClF3N
Molecular Weight	231.6016
SMILES	FC(C1=CC=C2N=CC=C(Cl)C2=C1)(F)F
Synonyms	4-chloro-6-(trifluoromethyl)quinoline, 49713-56-6, 4-chloro-6-trifluoromethylquinoline, MFCD00153106, PubChem5941, AC1MC66S, AC1Q4JD9, SCHEMBL317086, CTK4J1585, DTXSID00371545, PC2075L, FTNQANJWBFKPIP-UHFFFAOYSA-N, ACT08118, KS-00000G1D, ZINC2526221, ZX-AP000379, 4-Chloro-6-trifluoromethyl-quinoline, 6744AB, CC-856, SBB097812, AKOS005198905, 4-Chloro-6-(trifluoromethyl)quinolline, MCULE-6554457073, PS-7703, VQ10198, ACM49713566, Quinoline,4-chloro-6-(trifluoromethyl)-, AJ-37570, AK112967, AN-41506, BP-11149, CC-18805, EN001639, SY035686, AX8012464, DB-008873, TR-017854, BB 0241046, FT-0618127, FT-0618140, ST50407625, MFCD00153106 (97%), A18813, C-6249, 4-Chloro-6-trifluoromethylquinoline, AldrichCPR, 713C566, C-13509, C10H5ClF3N, ZINC02526221, CID2736711,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.006g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.602g/mol
Monoisotopic Mass	231.006g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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