AG006V7L

25889-37-6 | 4-Methoxy-2-nitro-1-(trifluoromethyl)benzene

AG006V7L

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CAS Number	25889-37-6
Catalog Number	AG006V7L(AGN-PC-03ZY1G)
Chemical Name	4-Methoxy-2-nitro-1-(trifluoromethyl)benzene
IUPAC Name	4-methoxy-2-nitro-1-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6F3NO3/c1-15-5-2-3-6(8(9,10)11)7(4-5)12(13)14/h2-4H,1H3
InChI Key	KCOIUQMLFCNNAP-UHFFFAOYSA-N
MDL Number	MFCD11848539
Molecular Formula	C8H6F3NO3
Molecular Weight	221.1333
SMILES	N(=O)(=O)c1c(C(F)(F)F)ccc(c1)OC
Synonyms	4-methoxy-2-nitro-1-(trifluoromethyl)benzene, 25889-37-6, 3-Nitro-4-(trifluoromethyl)anisole, 4-Methoxy-2-nitrobenzotrifluoride, AK-39895, 1-(trifluoromethyl)-4-methoxy-2-nitrobenzene, Intermediates-ZCF02690, KSC495O8L, SCHEMBL9385318, CTK3J5785, KS-00000OMD, 2-nitro-4-methoxybenzotrifluoride, DTXSID20631395, WT186, ANW-50110, MFCD11848539, WT2245, ZINC45329490, AKOS005145914, AS05507, CM11797, GS-4179, RTR-036283, BR-39895, CJ-20529, SC-35480, SY022971, AB0023785, AJ-110453, AX8211619, ST2411493, TR-036283, 4CH-002568, FT-0656090, W4921, MFCD11848539 (95%), S-3888, A818061, I01-7291, 25889-37-6 4-methoxy-2-nitro-1-(trifluoromethyl)benzene, C8H6F3NO3,

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
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number