AG007GTX

154057-13-3 | 4-Methyl-2-nitro-1-(trifluoromethyl)benzene

AG007GTX

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CAS Number	154057-13-3
Catalog Number	AG007GTX(AGN-PC-0WAMQ1)
Chemical Name	4-Methyl-2-nitro-1-(trifluoromethyl)benzene
IUPAC Name	4-methyl-2-nitro-1-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6F3NO2/c1-5-2-3-6(8(9,10)11)7(4-5)12(13)14/h2-4H,1H3
InChI Key	OKKXWBAMGISRSR-UHFFFAOYSA-N
MDL Number	MFCD16140172
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	CC1=CC(=C(C=C1)C(F)(F)F)[N+](=O)[O-]
Synonyms	4-methyl-2-nitro-1-(trifluoromethyl)benzene, 154057-13-3, 4-Methyl-2-nitrobenzotrifluoride, 3-NITRO-4-TRIFLUOROMETHYLTOLUENE, 3-nitro-4-trifluoromethyltlouene, KSC528A9J, SCHEMBL8002173, 2-Nitro-4-methylbenzotrifluoride, CTK4C8094, KS-00000ZEB, DTXSID50599878, OKKXWBAMGISRSR-UHFFFAOYSA-N, 2-Nitro-4-methyl-benzotrifluoride, ANW-51065, CL8834, MFCD16140172, ZINC66323197, AKOS005258090, ACN-056232, DS-1178, AK-47527, BR-47527, CJ-21271, AB0022481, AJ-115939, TC-068082, TR-035793, 4CH-006235, AM20050392, ST24032816, W3355, S-3845, C8H6F3NO2, 5-Benzyloxybenzo[1,3]dioxole-4-boronic acid pinacol ester, 1204580-84-6,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.136g/mol
Monoisotopic Mass	205.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number