AG004ME8

875664-48-5 | 4-Methoxy-2-(trifluoromethyl)benzonitrile

AG004ME8

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CAS Number	875664-48-5
Catalog Number	AG004ME8(AGN-PC-0VEUV9)
Chemical Name	4-Methoxy-2-(trifluoromethyl)benzonitrile
IUPAC Name	4-methoxy-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C9H6F3NO/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4H,1H3
InChI Key	FNPSTMJRNVUTJV-UHFFFAOYSA-N
MDL Number	MFCD06797342
Molecular Formula	C9H6F3NO
Molecular Weight	201.1452
SMILES	N#CC1=CC=C(OC)C=C1C(F)(F)F
Synonyms	4-methoxy-2-(trifluoromethyl)benzonitrile, 875664-48-5, MFCD06797342, AK-36662, AC1MD3WB, SCHEMBL13012268, CTK5F8694, KS-00000HTO, DTXSID80382472, FNPSTMJRNVUTJV-UHFFFAOYSA-N, ACT12433, ZX-AP006722, 3887AC, ANW-53148, FCH066666, SBB092726, ZINC15442961, AKOS005257740, PC10357, BBV-2069431, 4-Methoxy-2-trifluoromethyl-benzonitrile, AC-26099, AJ-67448, SY096629, AX8161209, RT-009742, ST24043839, MFCD06797342 (95%), A20988, 4-methoxy-2-(trifluoromethyl)benzenecarbonitrile, C9H6F3NO, CID2783160, 104-93-8,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.148g/mol
Monoisotopic Mass	201.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

Lot Number