AG002F3A

191165-13-6 | Benzonitrile, 4-bromo-2-(trifluoromethyl)-

AG002F3A

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CAS Number	191165-13-6
Catalog Number	AG002F3A(AGN-PC-03O90X)
Chemical Name	Benzonitrile, 4-bromo-2-(trifluoromethyl)-
IUPAC Name	4-bromo-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3BrF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H
InChI Key	XZZVLHLYHDELAI-UHFFFAOYSA-N
MDL Number	MFCD06659466
Molecular Formula	C8H3BrF3N
Molecular Weight	250.0153
SMILES	BrC1=CC(=C(C#N)C=C1)C(F)(F)F
Synonyms	4-Bromo-2-(trifluoromethyl)benzonitrile, 191165-13-6, 5-Bromo-2-cyanobenzotrifluoride, Benzonitrile, 4-bromo-2-(trifluoromethyl)-, 4-BROMO-2-TRIFLUOROMETHYLBENZONITRILE, 4-bromo-2-(trifluoromethyl)benzenecarbonitrile, 4-BROMO-1-CYANO-2-(TRIFLUOROMETHYL)BENZENE, AK-33892, EN300-56064, PubChem1575, 4-Bromo-2-(trifluoromethyl) benzonitrile, AC1Q4ILY, ACMC-1C4AR, KSC496C0L, SCHEMBL1226983, Jsp003924, CTK3J6105, KS-00000FCH, DTXSID90624956, XZZVLHLYHDELAI-UHFFFAOYSA-N, WT106, ACT00211, BCP27158, ZX-AP002331, ANW-23522, BBL104143, CL8208, MFCD06659466, PC6013, SBB055123, STL557958, ZINC21304476, AKOS005257260, AB25932, AC-1134, AM61391, AS01634, CB-1972, CM12991, CS-W007955, FCH1324920, LS10442, MCULE-8864464046, PS-7481, QC-7646, RP28882, RTR-008868, TF10111, VZ28447, 4-bromo-2-(trifluoromethyl)-benzonitrile, AJ-78537, AN-15226, BBV-40200759, BC002178, BC220210, BR-33892, CC-18162, CJ-16948, SC-02073, SY008064, Benzonitrile,4-bromo-2-(trifluoromethyl)-, AB0030818, AX8010781, DB-006683, TR-008868, A1566, FT-0083649, FT-0601397, ST24028929, ST50949879, TL80074036, X3073, MFCD06659466 (95%), M-1602, C-15374, I01-2374, J-514596, 191165-13-6 4-bromo-2-(trifluoromethyl)benzonitrile, Z1250208644, C8H3BrF3N,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.018g/mol
Monoisotopic Mass	248.94g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number