AG00FAFO

65754-26-9 | 4-Methyl-3-nitrobenzotrifluoride

AG00FAFO

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CAS Number	65754-26-9
Catalog Number	AG00FAFO(AGN-PC-0K5OZA)
Chemical Name	4-Methyl-3-nitrobenzotrifluoride
IUPAC Name	1-methyl-2-nitro-4-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6F3NO2/c1-5-2-3-6(8(9,10)11)4-7(5)12(13)14/h2-4H,1H3
InChI Key	VFERJFHPHSUIHY-UHFFFAOYSA-N
MDL Number	MFCD00272402
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	[N+](=O)([O-])C1=C(C=CC(=C1)C(F)(F)F)C
Synonyms	65754-26-9, 1-methyl-2-nitro-4-(trifluoromethyl)benzene, 2-Nitro-4-(trifluoromethyl)toluene, 4-Methyl-3-nitrobenzotrifluoride, 2-Methyl-5-trifluoromethylnitrobenzene, 2-NITRO-4-TRIFLUOROMETHYLTOLUENE, AK-36016, Benzene, 1-methyl-2-nitro-4-(trifluoromethyl)-, AC1LSX7A, ACMC-209ns4, KSC912C1N, SCHEMBL4416018, 2-nitro-4-trifluromethyltoluene, CTK8B2116, KS-00000HNQ, DTXSID10363017, VFERJFHPHSUIHY-UHFFFAOYSA-N, 2-Nitro-4- trifluoromethyltoluene, ZINC1384329, ZX-AP003026, ANW-35090, CL8823, MFCD00272402, PC9163, SBB093432, AKOS003587428, DS-0903, FCH1326300, RTR-022341, AJ-25419, BR-36016, CJ-04867, AB0026106, AX8159820, TC-068067, 2-Nitro-1-methyl-4-(trifluoromethyl)benzene, 4CH-002529, FT-0687061, ST24027122, W7702, B-8260, 2W-0021, 1-?Methyl-?2-?nitro-?4-?(trifluoromethyl)?-benzene, C8H6F3NO2, ZINC01384329, CID1472885, 6-N-Benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine HCl, 1172576-12-3,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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