AG0025EN

177596-38-2 | Phenol, 3-fluoro-4-(trifluoromethoxy)-

AG0025EN

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CAS Number	177596-38-2
Catalog Number	AG0025EN(AGN-PC-0KL2AT)
Chemical Name	Phenol, 3-fluoro-4-(trifluoromethoxy)-
IUPAC Name	3-fluoro-4-(trifluoromethoxy)phenol
InChI	InChI=1S/C7H4F4O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H
InChI Key	UTFSPWRTXCDUIJ-UHFFFAOYSA-N
MDL Number	MFCD06660342
Molecular Formula	C7H4F4O2
Molecular Weight	196.0991
SMILES	OC1=CC(F)=C(OC(F)(F)F)C=C1
Synonyms	3-Fluoro-4-(trifluoromethoxy)phenol, 177596-38-2, Phenol, 3-fluoro-4-(trifluoromethoxy)-, 3-FLUORO-4-TRIFLUOROMETHOXYPHENOL, MFCD06660342, AK-53848, 1-Fluoro-5-hydroxy-2-(trifluoromethoxy)benzene, 3-fluoro-4-trifluoromethoxy phenol, AC1MD4CK, ACMC-1BXA3, SCHEMBL1253983, 3-fluoro-4-trifluromethoxyphenol, CTK0H1123, KS-00000NLT, DTXSID90382605, UTFSPWRTXCDUIJ-UHFFFAOYSA-N, JRD-1989, ZX-AP005741, 9320AA, SBB091956, ZINC12359205, 3-Fluoro-4-(trifluoromethoxy) phenol, AKOS015956781, AM62297, CS-W010607, FCH1118423, PC10448, QC-7630, 3-fluoranyl-4-(trifluoromethyloxy)phenol, ACM177596382, AJ-61417, DS-14291, SC-08216, AB0066177, AX8086775, TC-169623, F1009, 3-Fluoro-4-(trifluoromethoxy)phenol, AldrichCPR, 214F760, A812278, 2-Fluoro-3-bromobenzonitrile, C7H4F4O2, ACN-056106, CID2783357, 4214-76-0,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.101g/mol
Monoisotopic Mass	196.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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