AG003J8V

433926-46-6 | 3-chloro-5-(trifluoromethoxy)benzoic acid

AG003J8V

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CAS Number	433926-46-6
Catalog Number	AG003J8V(AGN-PC-01LREP)
Chemical Name	3-chloro-5-(trifluoromethoxy)benzoic acid
IUPAC Name	3-chloro-5-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H4ClF3O3/c9-5-1-4(7(13)14)2-6(3-5)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key	KVXQRRFQLRUCKN-UHFFFAOYSA-N
MDL Number	MFCD06660306
Molecular Formula	C8H4ClF3O3
Molecular Weight	240.5638
SMILES	O=C(O)C1=CC(OC(F)(F)F)=CC(Cl)=C1
Synonyms	3-Chloro-5-(trifluoromethoxy)benzoic acid, 433926-46-6, MFCD06660306, 3-Chloro-5-trifluoromethoxy-benzoic acid, ACMC-20an6h, SCHEMBL932716, CTK4I7305, DTXSID20590670, KVXQRRFQLRUCKN-UHFFFAOYSA-N, JRD-1922, ZX-AP008720, PC2933, SBB099316, ZINC12359183, AKOS015956853, AB26715, 3-Chloro-5-trifluoromethoxybenzoic acid, ACM433926466, AJ-61407, AS-46747, SC-98094, 5-chloro-3-(trifluoromethoxy)benzoic acid, AX8258012, RT-008666, CS-0084815, 3-Carboxy-5-chloro-alpha,alpha,alpha-trifluoroanisole, BENZOIC ACID, 3-CHLORO-5-(TRIFLUOROMETHOXY)-, I14-102513, 3-CHLORO-5- BENZOICACID, 158580-93-9,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.98g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.562g/mol
Monoisotopic Mass	239.98g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

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