AG00GL1L

85578-47-8 | 2-Chloro-1-nitro-4-(trifluoromethoxy)benzene

AG00GL1L

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CAS Number	85578-47-8
Catalog Number	AG00GL1L(AGN-PC-0WD6CH)
Chemical Name	2-Chloro-1-nitro-4-(trifluoromethoxy)benzene
IUPAC Name	2-chloro-1-nitro-4-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3ClF3NO3/c8-5-3-4(15-7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChI Key	KUVUJRJQWFVOMY-UHFFFAOYSA-N
MDL Number	MFCD13194448
Molecular Formula	C7H3ClF3NO3
Molecular Weight	241.5518
SMILES	FC(F)(F)OC1=CC=C([N+]([O-])=O)C(Cl)=C1
Synonyms	2-chloro-1-nitro-4-(trifluoromethoxy)benzene, 85578-47-8, 2-CHLORO-4-TRIFLUOROMETHOXYNITROBENZENE, SCHEMBL998214, DTXSID40439658, CL8233, MFCD13194448, ZINC38813708, AKOS024262547, 2-Chloro-4-(trifluoromethoxy)nitrobenzene, 2-Nitro-5-(trifluoromethoxy)chlorobenzene, AJ-96910, AK158564, AS-46003, PC500429, AX8267140, CS-0087894, ST24040268, X-1310, CID10421828,

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	3.6

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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