AG0036JM

77227-78-2 | Phenol,2-fluoro-4-(trifluoromethyl)-

AG0036JM

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CAS Number	77227-78-2
Catalog Number	AG0036JM(AGN-PC-0JSAQE)
Chemical Name	Phenol,2-fluoro-4-(trifluoromethyl)-
IUPAC Name	2-fluoro-4-(trifluoromethyl)phenol
InChI	InChI=1S/C7H4F4O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
InChI Key	WEUIJSDNBZVSNY-UHFFFAOYSA-N
MDL Number	MFCD00061285
Molecular Formula	C7H4F4O
Molecular Weight	180.0997
SMILES	Oc1ccc(cc1F)C(F)(F)F
Synonyms	2-Fluoro-4-(trifluoromethyl)phenol, 77227-78-2, Phenol,2-fluoro-4-(trifluoromethyl)-, WEUIJSDNBZVSNY-UHFFFAOYSA-N, AC1LAX7I, AC1Q78T2, SCHEMBL2839880, 2-fluoro-4-trifluoromethylphenol, CTK5E4055, DTXSID80335029, 2-fluoro-4-trifluoromethyl phenol, ZINC8100951, 2055AC, ANW-57527, MFCD00061285, AKOS006230112, Phenol, 2-fluoro-4-(trifluoromethyl)-, AJ-57326, AS-50071, CJ-13171, SC-47835, DB-008198, ST2416886, TC-146272, 4CH-016168, FT-0687063, C7H4F4O, CID522654,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.102g/mol
Monoisotopic Mass	180.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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