AG00DKTJ

448-38-4 | 4-Chloro-2-nitro-1-(trifluoromethoxy)benzene

AG00DKTJ

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CAS Number	448-38-4
Catalog Number	AG00DKTJ(AGN-PC-0MTY07)
Chemical Name	4-Chloro-2-nitro-1-(trifluoromethoxy)benzene
IUPAC Name	4-chloro-2-nitro-1-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3ClF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H
InChI Key	HJUSPAGBVDNGSB-UHFFFAOYSA-N
MDL Number	MFCD13194449
Molecular Formula	C7H3ClF3NO3
Molecular Weight	241.5518
SMILES	[O-][N+](=O)C1=C(OC(F)(F)F)C=CC(Cl)=C1
Synonyms	4-chloro-2-nitro-1-(trifluoromethoxy)benzene, 448-38-4, 5-CHLORO-2-(TRIFLUOROMETHOXY)NITROBENZENE, AK-54914, SCHEMBL1274774, CTK8C2802, DTXSID60431078, HJUSPAGBVDNGSB-UHFFFAOYSA-N, KS-00000P0W, ANW-69021, MFCD13194449, ZINC33966822, AKOS016005711, CS-W007178, 3-Nitro-4-(trifluoromethoxy)chlorobenzene, AJ-86520, AS-19290, SY020752, AX8216694, TC-157766, 4-chloro-2-nitro-1-trifluoromethoxy-benzene, ST24043566, X6433, MFCD13194449 (95%), C7H3ClF3NO3, CID9813540, 5-Chloro-2-(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	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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