AG00DF9U

438554-45-1 | 4-Chloro-5-nitro-2-(trifluoromethyl)pyridine

AG00DF9U

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CAS Number	438554-45-1
Catalog Number	AG00DF9U(AGN-PC-03OIA8)
Chemical Name	4-Chloro-5-nitro-2-(trifluoromethyl)pyridine
IUPAC Name	4-chloro-5-nitro-2-(trifluoromethyl)pyridine
InChI	InChI=1S/C6H2ClF3N2O2/c7-3-1-5(6(8,9)10)11-2-4(3)12(13)14/h1-2H
InChI Key	VBVLYVRVIUJULO-UHFFFAOYSA-N
MDL Number	MFCD11848352
Molecular Formula	C6H2ClF3N2O2
Molecular Weight	226.5405
SMILES	[O-][N+](=O)C1=CN=C(C=C1Cl)C(F)(F)F
Synonyms	4-Chloro-5-nitro-2-(trifluoromethyl)pyridine, 438554-45-1, 4-CHLORO-2-(TRIFLUOROMETHYL)-5-NITROPYRIDINE, SCHEMBL3061406, CTK4I7817, KS-00000PKU, DTXSID60625278, VBVLYVRVIUJULO-UHFFFAOYSA-N, ANW-72647, MFCD11848352, ZINC71864123, AKOS016007632, AB64806, DS-2606, MP-1450, AK-31259, CJ-21627, QC-11450, 4-Chloro-5-nitro-2-trifluoromethylpyridine, AJ-118877, TC-161392, 2-trifluoromethyl-4-chloro-5-nitro-pyridine, 4-Chloro-5-nitro-2-trifluoromethyl-pyridine, 4CH-011268, ST24023496, Z4760, Pyridine, 4-chloro-5-nitro-2-(trifluoromethyl)-, Z1741981091, C6H2ClF3N2O2, 4-chloro-2-(trifluoromethyl)-5-nitropyridine, 95% - 1G 1g,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.976g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.539g/mol
Monoisotopic Mass	225.976g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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