AG000XGL

127827-52-5 | Quinoline, 6-bromo-7-fluoro-

AG000XGL

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CAS Number	127827-52-5
Catalog Number	AG000XGL(AGN-PC-001RSQ)
Chemical Name	Quinoline, 6-bromo-7-fluoro-
IUPAC Name	6-bromo-7-fluoroquinoline
InChI	InChI=1S/C9H5BrFN/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h1-5H
InChI Key	IFIKQQLFQMNCRN-UHFFFAOYSA-N
MDL Number	MFCD13181511
Molecular Formula	C9H5BrFN
Molecular Weight	226.0451
SMILES	FC1=C(Br)C=C2C=CC=NC2=C1
Synonyms	6-Bromo-7-fluoroquinoline, 127827-52-5, Quinoline, 6-bromo-7-fluoro-, AK-41440, 7-fluoro-6-bromoquinoline, 6-Bromo-7-fluoro quinoline, 6-Bromo-7-fluoro-quinoline, KSC493I4P, SCHEMBL1163802, CTK3J3447, DTXSID70561532, IFIKQQLFQMNCRN-UHFFFAOYSA-N, ABBYPHARMA AP-31-1858, ANW-48628, MFCD13181511, ZINC66331909, AKOS015853495, ACN-027189, CS-W003846, FCH1328379, QC-7958, RTC-063343, TRA0051530, BC004235, BP-30018, BR-41440, CJ-21295, DS-13848, PC448001, SY009673, AB0035387, AJ-116145, AX8209368, DB-062614, TC-063343, 4CH-002247, AM20120613, FT-0688166, ST24033094, X9709, S-2320, MFCD13181511 (97+%), I08-0379, C9H5BrFN,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.048g/mol
Monoisotopic Mass	224.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number