AG003H9U

886498-08-4 | 2-Fluoro-5-(Trifluoromethoxy)Benzonitrile

AG003H9U

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CAS Number	886498-08-4
Catalog Number	AG003H9U(AGN-PC-0VMZZV)
Chemical Name	2-Fluoro-5-(Trifluoromethoxy)Benzonitrile
IUPAC Name	2-fluoro-5-(trifluoromethoxy)benzonitrile
InChI	InChI=1S/C8H3F4NO/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-3H
InChI Key	MFLGNKVMGUFLOV-UHFFFAOYSA-N
MDL Number	MFCD04115894
Molecular Formula	C8H3F4NO
Molecular Weight	205.1091
SMILES	N#CC1=CC(OC(F)(F)F)=CC=C1F
Synonyms	2-Fluoro-5-(trifluoromethoxy)benzonitrile, 886498-08-4, MFCD04115894, 2-Fluoro-5-trifluoromethoxy-benzonitrile, 2-Cyano-1-fluoro-4-(trifluoromethoxy)benzene, PubChem4797, AC1NQGNS, SCHEMBL1263373, CTK8E4028, DTXSID20411038, MFLGNKVMGUFLOV-UHFFFAOYSA-N, ACT12515, JRD-1409, ZINC2527817, ZX-AP011745, BBL101241, KM2699, PC1097, SBB093425, STL555037, AKOS005257694, 2-fluoro-5-trifluoromethoxybenzonitrile, FCH1325703, JS-4258, AJ-38160, AK-36744, AX8074933, DB-078090, RT-007780, CS-0084820, FT-0691678, benzonitrile, 2-fluoro-5-(trifluoromethoxy)-, 2-fluoro-5-(trifluoromethoxy)benzenecarbonitrile, 2 - Fluoro - 5 - (trifluoromethoxy)benzonitrile, A842804, 2-fluoranyl-5-(trifluoromethyloxy)benzenecarbonitrile, CID5221095,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.112g/mol
Monoisotopic Mass	205.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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