AG00FA1I

657-06-7 | 2-Chloro-5-(trifluoromethyl)benzoic Acid

AG00FA1I

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CAS Number	657-06-7
Catalog Number	AG00FA1I(AGN-PC-0JUYKR)
Chemical Name	2-Chloro-5-(trifluoromethyl)benzoic Acid
IUPAC Name	2-chloro-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4ClF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChI Key	WLXRKCGYQAKHSJ-UHFFFAOYSA-N
MDL Number	MFCD00061094
Molecular Formula	C8H4ClF3O2
Molecular Weight	224.5644
SMILES	O=C(O)C1=CC(C(F)(F)F)=CC=C1Cl
Synonyms	657-06-7, 2-Chloro-5-(trifluoromethyl)benzoic acid, 2-Chloro-5-trifluoromethylbenzoic acid, MFCD00061094, benzoic acid, 2-chloro-5-(trifluoromethyl)-, 2-Chloro-5-(trifluoromethyl)benzoicacid, 2-Chloro-5-trifluoromethyl-benzoic acid, 2-Chloro-5-(trifluoromethyl)benzoic acid 98.5%, Maybridge1_003457, PubChem1377, PubChem7879, AC1LELIO, ACMC-209xwb, SCHEMBL78221, CTK3J6251, HMS551F03, ZINC56838, DTXSID20350817, WLXRKCGYQAKHSJ-UHFFFAOYSA-N, WT145, AC1Q7281, ACT12196, JRD-0138, KS-00000CU5, 2-chloro5-trifluoromethylbenzoic acid, ANW-48201, SBB003328, AKOS000109294, AM61627, CC-1652, CCG-241313, CM12605, LS10224, MCULE-9463057067, RTR-022315, VZ24321, 2-Chloro 5-(trifluoromethyl)benzoic acid, AC-26030, AJ-09446, AK-36011, AN-47121, AS-13560, BC676288, BP-13136, BR-36011, I693, SC-06110, SY021832, 2-chloro-5-(trifluoromethyl) benzoic acid, 2-chloro-5-(trifluoromethyl)-benzoic acid, AB0013835, AB1010070, DB-006076, ST2404350, TR-022315, 4CH-002536, BB 0244854, CS-0037468, FT-0601111, A19982, A20244, S-1972, 2-Chloro-5-(trifluoromethyl)benzoic acid, 98%, MFCD00061094 (97+%), I01-5487, 657-06-7 2-chloro-5-(trifluoromethyl)benzoic acid, null, C8H4ClF3O2, 2-CHLORO-5- BENZOICACID, ACN-S001956, CID688182, 2-Chloro-3-(trifluoromethyl)benzoic acid, 2-Chloro-3-trifluoromethyl-benzoic acid, 2-Chloro-5-(trifluoromethyl)benzoic acid, 98% - 25G 25g, 39226-97-6, 455-24-3,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.985g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.563g/mol
Monoisotopic Mass	223.985g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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

Lot Number