AG002OEL

24522-30-3 | Acetamide, 2-cyano-N-[4-(trifluoromethyl)phenyl]-

AG002OEL

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CAS Number	24522-30-3
Catalog Number	AG002OEL(AGN-PC-0L0L57)
Chemical Name	Acetamide, 2-cyano-N-[4-(trifluoromethyl)phenyl]-
EC Number	642-278-1
IUPAC Name	2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
InChI	InChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
InChI Key	JBNCFFDGYDZEEN-UHFFFAOYSA-N
MDL Number	MFCD05669245
Molecular Formula	C10H7F3N2O
Molecular Weight	228.1706
SMILES	O=C(NC1=CC=C(C(F)(F)F)C=C1)CC#N
UNII	T4N584WTC2
Synonyms	24522-30-3, 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide, 2-Cyano-N-(4-(trifluoromethyl)phenyl)acetamide, UNII-T4N584WTC2, Acetamide, 2-cyano-N-[4-(trifluoromethyl)phenyl]-, T4N584WTC2, N-(4-trifluoromethylphenyl)cyanoacetamide, Acetamide,2-cyano-N-[4-(trifluoromethyl)phenyl]-, Acetamide, 2-cyano-N-(4-(trifluoromethyl)phenyl)-, Leflunomide impurity H [EP], Leflunomide Impurity H, AC1MXZCU, p-Acetotoluidide, 2-cyano-alpha,alpha,alpha-trifluoro-, SCHEMBL1498374, CTK4F3829, DTXSID50179275, JBNCFFDGYDZEEN-UHFFFAOYSA-N, 4'-trifluoromethyl-cyanoacetanilide, CS-M2760, KS-00000N0J, ZINC4105256, BBL023189, HTS001178, MFCD05669245, STL072961, AKOS000166723, Leflunomide impurity, 2-cyano-acetic acid-(4'-trifluoromethyl)-anilide- [USP], BS-3667, MCULE-5886830267, MS-0655, AC-27036, AK326675, AB0109467, H2574, 2-Cyano-N-(4-trifluoromethyl-phenyl)-acetamide, 2-cyano-n-[4-(trifluoromethyl) phenyl]acetamide, N-[4-(Trifluoromethyl)phenyl]-2-cyanoacetamide, SR-01000308182, SR-01000308182-1, C10H7F3N2O, 3-Bromo-4-chloro-5-nitropyridine, ZINC04105256, CID3823803, C3217,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.051g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.174g/mol
Monoisotopic Mass	228.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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