AG00AQJ4

173025-79-1 | 4-(4-Trifluoromethoxyphenyl)phenol

AG00AQJ4

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CAS Number	173025-79-1
Catalog Number	AG00AQJ4(AGN-PC-0WCYGX)
Chemical Name	4-(4-Trifluoromethoxyphenyl)phenol
IUPAC Name	4-[4-(trifluoromethoxy)phenyl]phenol
InChI	InChI=1S/C13H9F3O2/c14-13(15,16)18-12-7-3-10(4-8-12)9-1-5-11(17)6-2-9/h1-8,17H
InChI Key	BQHPTVCTYWEKJL-UHFFFAOYSA-N
MDL Number	MFCD18312997
Molecular Formula	C13H9F3O2
Molecular Weight	254.2046
SMILES	c1c(ccc(c1)c1ccc(cc1)O)OC(F)(F)F
Synonyms	4-(4-TRIFLUOROMETHOXYPHENYL)PHENOL, 173025-79-1, 4'-(Trifluoromethoxy)-[1,1'-biphenyl]-4-ol, ACMC-209e5p, SCHEMBL508237, CTK8B0999, DTXSID80475712, BQHPTVCTYWEKJL-UHFFFAOYSA-N, 4'-Trifluoromethoxy-biphenyl-4-ol, 4'-(Trifluoromethoxy)biphenyl-4-ol, ANW-22619, MFCD18312997, ZINC13840570, 4-trifluoromethoxy-4'-hydroxybiphenyl, AKOS015907869, 4-hydroxy-4'-(trifluoromethoxy)biphenyl, TC-111364, V3779, 4'-(trifluoromethoxy)[1,1'-biphenyl]-4-ol, B-7456, I14-25382, C13H9F3O2,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.055g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.208g/mol
Monoisotopic Mass	254.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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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