AG003GY3

588-09-0 | 2-Chloro-5-(trifluoroMethoxy)nitrobenzene

AG003GY3

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CAS Number	588-09-0
Catalog Number	AG003GY3(AGN-PC-040VEF)
Chemical Name	2-Chloro-5-(trifluoroMethoxy)nitrobenzene
IUPAC Name	1-chloro-2-nitro-4-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3ClF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
InChI Key	WMEHRJJXMQRTOU-UHFFFAOYSA-N
MDL Number	MFCD13194447
Molecular Formula	C7H3ClF3NO3
Molecular Weight	241.5518
SMILES	FC(F)(F)OC1=CC=C(Cl)C([N+]([O-])=O)=C1
Synonyms	1-Chloro-2-nitro-4-(trifluoromethoxy)benzene, 588-09-0, 2-Chloro-5-(trifluoromethoxy)nitrobenzene, Benzene, 1-chloro-2-nitro-4-(trifluoromethoxy)-, AK-86772, KSC239Q8N, SCHEMBL1275645, CTK1D9886, DTXSID40632667, WMEHRJJXMQRTOU-UHFFFAOYSA-N, KS-00000D6P, ANW-45879, MFCD13194447, ZINC77028577, AKOS015998885, AM61604, TRA0082725, 2-Nitro-4-(trifluoromethoxy)chlorobenzene, CJ-21907, DS-18230, SY023074, AJ-122449, AX8227236, RT-002771, 1-chloro-2-nitro-4-trifluoromethoxy-benzene, CS-0084293, ST24021291, W7180, 4-(trifluoromethoxy)-2-nitro-1-chlorobenzene, Z-3440, MFCD13194447 (95+%), J-508791, C7H3ClF3NO3,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.975g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.55g/mol
Monoisotopic Mass	240.975g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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