AG001QB0

158579-81-8 | Benzene, 2-chloro-4-nitro-1-(trifluoromethoxy)-

AG001QB0

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CAS Number	158579-81-8
Catalog Number	AG001QB0(AGN-PC-00PK9D)
Chemical Name	Benzene, 2-chloro-4-nitro-1-(trifluoromethoxy)-
EC Number	917-665-6
IUPAC Name	2-chloro-4-nitro-1-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3ClF3NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H
InChI Key	XPGDBZMLVQPKOX-UHFFFAOYSA-N
MDL Number	MFCD12032157
Molecular Formula	C7H3ClF3NO3
Molecular Weight	241.5518
SMILES	FC(F)(F)OC1=CC=C([N+]([O-])=O)C=C1Cl
Synonyms	158579-81-8, 2-Chloro-4-nitro-1-(trifluoromethoxy)benzene, 3-Chloro-4-(trifluoromethoxy)nitrobenzene, Benzene, 2-chloro-4-nitro-1-(trifluoromethoxy)-, AK102216, 5-NITRO-2-(TRIFLUOROMETHOXY)CHLOROBENZENE, 2-CHLORO-4-NITRO-(TRIFLUOROMETHOXY)BENZENE, KSC110G2B, SCHEMBL7686888, CTK0B0320, DTXSID30573696, 7957AA, ANW-62330, MFCD12032157, ZINC34578707, AKOS015890639, AS00274, DS-3790, AJ-89457, CJ-18477, SY020758, AB0056785, AX8233755, RT-002661, 4CH-002511, CS-0084334, ST24040344, 1-Chloro-5-nitro-2-(trifluoromethoxy)benzene, MFCD12032157 (95%), I01-7279, C7H3ClF3NO3, 3-Chloro-4-(Trifluoromethoxy)nitrobenzene - 5G 5g,

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	3.7

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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