AG00EFUS

63734-62-3 | 3-(2-CHLORO-4-TRIFLUOROMETHYLPHENOXY)BENZOIC ACID

AG00EFUS

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CAS Number	63734-62-3
Catalog Number	AG00EFUS(AGN-PC-0JLZA1)
Chemical Name	3-(2-CHLORO-4-TRIFLUOROMETHYLPHENOXY)BENZOIC ACID
EC Number	264-433-9
IUPAC Name	3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
InChI	InChI=1S/C14H8ClF3O3/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)
InChI Key	ONKRUAQFUNKYAX-UHFFFAOYSA-N
MDL Number	MFCD01762544
Molecular Formula	C14H8ClF3O3
Molecular Weight	316.6597
SMILES	O(c1c(Cl)cc(cc1)C(F)(F)F)c1cc(C(=O)O)ccc1
UNII	IFR9214DL2
Synonyms	63734-62-3, 3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid, 3-(2-chloro-4-trifluoromethylphenoxy)benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid, UNII-IFR9214DL2, EINECS 264-433-9, IFR9214DL2, Benzoic acid, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-, Benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, AK135544, W-104882, AC1Q3QKA, AC1L3ML1, SCHEMBL3791436, 3-[2-Chloro-4-(trifluoromethyl)phenoxy]- benzoic acid, Benzoic acid,3-[2-chloro-4-(trifluoromethyl)phenoxy]-, DTXSID4028121, CTK5B9767, KS-00000KOG, ONKRUAQFUNKYAX-UHFFFAOYSA-N, ZINC2383355, MFCD01762544, AKOS015960893, DS-5087, AC-12525, AJ-34958, AN-38901, LS-36661, AX8034457, DB-025123, FT-0613535, 3(2-chloro-4-trifluoromethylphenoxy)benzoic acid, 3(2-chloro-4-trifluoromethylphenoxy)-benzoic acid, 734C623, 3-(2-chloro-4-trifluoromethylphenoxy)-benzoic acid, 3-[2-Chloro-4-(trifluoromethyl)phenoxy]-benzoic acid, C14H8ClF3O3, C14-H8-Cl-F3-O3, CID91685, AR-1E6155, 645-31-8, 95251-52-8,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.011g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	316.66g/mol
Monoisotopic Mass	316.011g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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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