AG003L49

886501-50-4 | 4-Chloro-3-(trifluoromethoxy)benzonitrile

AG003L49

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CAS Number	886501-50-4
Catalog Number	AG003L49(AGN-PC-01LRDX)
Chemical Name	4-Chloro-3-(trifluoromethoxy)benzonitrile
IUPAC Name	4-chloro-3-(trifluoromethoxy)benzonitrile
InChI	InChI=1S/C8H3ClF3NO/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3H
InChI Key	ODWSOYAYOGSZIG-UHFFFAOYSA-N
MDL Number	MFCD06660261
Molecular Formula	C8H3ClF3NO
Molecular Weight	221.5637
SMILES	ClC1=C(C=C(C#N)C=C1)OC(F)(F)F
Synonyms	4-Chloro-3-(trifluoromethoxy)benzonitrile, 886501-50-4, AK-64839, SCHEMBL352769, CTK7C7570, KS-00000OXS, DTXSID00590658, JRD-1862, 4540AC, ANW-53671, CL8211, MFCD06660261, SBB096193, WT2104, ZINC12359234, AKOS015919622, FCH1325768, TRA0063143, AJ-61427, BR-64839, DS-15657, PC303080, AX8215922, RT-009570, ST24023476, 4-CHLORO-3-TRIFLUOROMETHOXYBENZONITRILE, 4-chloro-3-(trifluoromethoxy)benzenecarbonitrile, 886501-50-4 4-chloro-3-(trifluoromethoxy)benzonitrile, C8H3ClF3NO, 4-CHLORO-3- BENZONITRILE,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.986g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.563g/mol
Monoisotopic Mass	220.986g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

Lot Number