AG0036MF

78161-82-7 | 4-(4-(Trifluoromethyl)phenoxy)benzoic acid

AG0036MF

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CAS Number	78161-82-7
Catalog Number	AG0036MF(AGN-PC-0KYDNY)
Chemical Name	4-(4-(Trifluoromethyl)phenoxy)benzoic acid
IUPAC Name	4-[4-(trifluoromethyl)phenoxy]benzoic acid
InChI	InChI=1S/C14H9F3O3/c15-14(16,17)10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13(18)19/h1-8H,(H,18,19)
InChI Key	REDYCJOUKXVWEZ-UHFFFAOYSA-N
MDL Number	MFCD03840158
Molecular Formula	C14H9F3O3
Molecular Weight	282.2147
SMILES	OC(=O)C1=CC=C(OC2=CC=C(C=C2)C(F)(F)F)C=C1
Synonyms	78161-82-7, 4-(4-(Trifluoromethyl)phenoxy)benzoic acid, 4-[4-(trifluoromethyl)phenoxy]benzoic Acid, 4-(4-Trifluoromethyl-phenoxy)-benzoic acid, Benzoic acid, 4-[4-(trifluoromethyl)phenoxy]-, AC1MUX6U, SCHEMBL1452722, CTK2G5648, DTXSID20394897, REDYCJOUKXVWEZ-UHFFFAOYSA-N, 4PBD-Q07-0, ZINC2513168, 2244AC, ANW-70452, AR1904, KM1898, MFCD03840158, AKOS011515037, MCULE-8718151693, 4-(4-Trifluoromethylphenoxy)benzoic acid, AJ-36813, AS-45235, 4-(4-Trifluoromethyl-phenoxy)benzoic acid, AB0086573, TC-159197, CS-0035462, F2197-0021, C14H9F3O3, CID3673481, 4-(4-(Trifluoromethyl)phenoxy)benzoicacid,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.05g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	282.218g/mol
Monoisotopic Mass	282.05g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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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