AG006Q5D

654-76-2 | 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene

AG006Q5D

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CAS Number	654-76-2
Catalog Number	AG006Q5D(AGN-PC-0JL93Y)
Chemical Name	1-Methoxy-4-nitro-2-(trifluoromethyl)benzene
EC Number	211-507-3
IUPAC Name	1-methoxy-4-nitro-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3
InChI Key	KGFADEJSZXEVMC-UHFFFAOYSA-N
MDL Number	MFCD00007328
Molecular Formula	C8H6F3NO3
Molecular Weight	221.1333
NSC Number	88331
SMILES	FC(C1=CC([N+]([O-])=O)=CC=C1OC)(F)F
Synonyms	2-Methoxy-5-nitrobenzotrifluoride, 654-76-2, 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene, 4-Nitro-2-(trifluoromethyl)anisole, 5-Nitro-2-methoxybenzotrifluoride, Benzene, 1-methoxy-4-nitro-2-(trifluoromethyl)-, MFCD00007328, 1-Methoxy-4-nitro-2-trifluoromethyl-benzene, KGFADEJSZXEVMC-UHFFFAOYSA-N, 2-METHOXY-5-NITRO(TRIFLUOROMETHYL)BENZENE, NSC88331, EINECS 211-507-3, PubChem4875, AC1Q1ZMM, ACMC-209nr0, AC1L2C5K, NCIOpen2_005268, SCHEMBL1494244, CTK7A5789, ZINC56590, DTXSID40215712, WT305, 2-methoxy-5-nitro-benzotrifluoride, ACT13122, ANW-35050, LABOTEST-BB LT00848189, LABOTEST-BB LT03380847, NSC-88331, SBB058354, STK149391, AKOS003293419, AC-4148, AM62062, AN-1813, AS01761, CM11800, LF10130, MCULE-1531404061, VZ34727, Anisole, 4-nitro-2-(trifluoromethyl)-, KS-0000111F, 4-methoxy-3-trifluoromethyl-nitrobenzene, 1-Methoxy4-nitro-2-trifluoromethylbenzene, 4-Methoxy-3-(trifluoromethyl)nitrobenzene, AJ-09330, AK-36004, R399, ZB001733, 1-Methoxy-4-nitro-2-trifluoromethylbenzene, AB0018138, ST2415382, TL8004652, TR-033230, A8877, A8879, FT-0612808, ST45021211, 654-76-2 2-methoxy-5-nitrobenzotrifluoride, C-4817, Methyl 4-nitro-2-(trifluoromethyl)phenyl ether, 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene #, I01-2138, C8H6F3NO3, 5-Amino-2-cyanobenzotrifluoride, C8-H6-F3-N-O3, CID69562, AR-1G9109, ACN-055964, 4-Amino-2-(trifluoromethyl)benzonitrile, 654-70-6, 67881-98-5,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.135g/mol
Monoisotopic Mass	221.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

Lot Number