AG003B87

32890-94-1 | 2-Fluoro-6-(trifluoromethyl)benzoic acid

AG003B87

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CAS Number	32890-94-1
Catalog Number	AG003B87(AGN-PC-0JUYK6)
Chemical Name	2-Fluoro-6-(trifluoromethyl)benzoic acid
IUPAC Name	2-fluoro-6-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F4O2/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H,13,14)
InChI Key	LNARMXLVVGHCRP-UHFFFAOYSA-N
MDL Number	MFCD00040981
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	OC(=O)C1=C(F)C=CC=C1C(F)(F)F
Synonyms	2-Fluoro-6-(trifluoromethyl)benzoic acid, 32890-94-1, MFCD00040981, 2-fluoro-6-trifluoromethylbenzoic acid, alpha,alpha,alpha,6-Tetrafluoro-o-toluic Acid, Benzoic acid, 2-fluoro-6-(trifluoromethyl)-, LNARMXLVVGHCRP-UHFFFAOYSA-N, 6-fluoro-2-trifluoromethylbenzoic acid, 2-fluoro-6-trifluoromethyl-benzoic acid, 6-fluoro-2-(trifluoromethyl)benzoic acid, 2-Fluoro-6-(trifluoromethyl)benzoic acid, 98%, PubChem4759, AC1LELDX, OTF-BOA-6F, ACMC-20a40d, AC1Q72BR, SCHEMBL503596, RARECHEM AL BO 0626, CTK1C6719, ZINC56713, DTXSID40350793, BUTTPARK 29\06-66, a,a,a,6-tetrafluoro-o-toluic acid, ACT12054, JRD-0117, ANW-56123, BBL027960, CF-927, SBB064406, STK802264, AKOS005258423, AB01843, AC-3990, AS01884, MCULE-2682390353, PS-8048, VZ24628, AJ-09378, AM808184, AN-12399, AB0030741, ST2416910, TR-013806, F0757, FT-0083004, FT-0612383, ST50319939, TL80090460, X2967, A20058, C-1071, 2-Fluoro-6-(trifluoromethyl)benzoic acid, 99%, I01-4786, J-018919, Z1741957000, C8H4F4O2, CID688123, ACN-029012, 2-Fluoro-6-(trifluoromethyl)benzoic acid, 99% - 1G 1g,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.112g/mol
Monoisotopic Mass	208.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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