AG008XPU

1187983-97-6 | 2-(Trifluoromethoxy)-4-bromobenzonitrile

AG008XPU

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CAS Number	1187983-97-6
Catalog Number	AG008XPU(AGN-PC-0WAMRK)
Chemical Name	2-(Trifluoromethoxy)-4-bromobenzonitrile
IUPAC Name	4-bromo-2-(trifluoromethoxy)benzonitrile
InChI	InChI=1S/C8H3BrF3NO/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-3H
InChI Key	BSDMYPNZFMPNSE-UHFFFAOYSA-N
MDL Number	MFCD12761591
Molecular Formula	C8H3BrF3NO
Molecular Weight	266.0147
SMILES	FC(F)(F)OC1=C(C=CC(Br)=C1)C#N
Synonyms	4-Bromo-2-(trifluoromethoxy)benzonitrile, 1187983-97-6, 2-(Trifluoromethoxy)-4-bromobenzonitrile, AK-87015, SCHEMBL7660043, CTK7C8207, DTXSID50672913, BSDMYPNZFMPNSE-UHFFFAOYSA-N, ACT12940, KS-00000OV8, ZX-AP003944, 3138AA, ANW-54804, MFCD12761591, PC6918, SBB102978, ZINC42784479, 4-Bromo-2-trifluoromethoxybenzonitrile, AKOS016001215, AM61289, CS-W006518, FCH1376761, PS-7322, 4-bromo-2-(trifluoromethoxy) benzonitrile, AJ-108218, AX8215158, DB-061413, TC-143549, 4-Bromo-1-cyano-2-(trifluoromethoxy)benzene, Benzonitrile, 4-bromo-2-(trifluoromethoxy)-, FT-0701345, FT-0768945, 4-bromo-2-(trifluoromethoxy)benzenecarbonitrile, K-1339, C8H3BrF3NO,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.935g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	266.017g/mol
Monoisotopic Mass	264.935g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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