AG00EDAT

596845-30-6 | 2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline

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CAS Number	596845-30-6
Catalog Number	AG00EDAT(AGN-PC-0NFOE8)
Chemical Name	2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline
IUPAC Name	2-bromo-6-fluoro-4-(trifluoromethyl)quinoline
InChI	InChI=1S/C10H4BrF4N/c11-9-4-7(10(13,14)15)6-3-5(12)1-2-8(6)16-9/h1-4H
InChI Key	YIJYXAAALOPGOS-UHFFFAOYSA-N
MDL Number	MFCD10574949
Molecular Formula	C10H4BrF4N
Molecular Weight	294.0431
SMILES	FC(F)(F)C1C2C(=CC=C(C=2)F)N=C(Br)C=1
Synonyms	2-bromo-6-fluoro-4-(trifluoromethyl)quinoline, 596845-30-6, 4-Trifluoromethyl-2-bromo-6-fluoroquinoline, CTK5B0306, DTXSID10454797, KS-00000RP4, CT-813, MFCD10574949, ZINC38228383, AKOS022171581, AJ-94718, AN-27722, EN001724, AX8258535, DB-002429, CS-0060678, FT-0645328, Z2519, C-2151, 845B306, A832422, Quinoline,2-bromo-6-fluoro-4-(trifluoromethyl)-, 2-bromanyl-6-fluoranyl-4-(trifluoromethyl)quinoline, C10H4BrF4N, CID11087664, 2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline, 97% - 1G 1g,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	292.946g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.047g/mol
Monoisotopic Mass	292.946g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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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