AG003655

835-58-5 | 4-(Trifluoromethyl)phthalic acid

AG003655

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CAS Number	835-58-5
Catalog Number	AG003655(AGN-PC-0JTK0C)
Chemical Name	4-(Trifluoromethyl)phthalic acid
IUPAC Name	4-(trifluoromethyl)phthalic acid
InChI	InChI=1S/C9H5F3O4/c10-9(11,12)4-1-2-5(7(13)14)6(3-4)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChI Key	VNLYHYHJIXGBFX-UHFFFAOYSA-N
MDL Number	MFCD00671572
Molecular Formula	C9H5F3O4
Molecular Weight	234.1288
SMILES	FC(C=1C=C(C(C(=O)O)=CC1)C(=O)O)(F)F
Synonyms	4-(Trifluoromethyl)phthalic acid, 835-58-5, 4-Trifluoromethylphthalic Acid, 4-trifluoromethyl-phthalic acid, VNLYHYHJIXGBFX-UHFFFAOYSA-N, 1,2-Benzenedicarboxylic acid, 4-(trifluoromethyl)-, AC1LCCCO, KSC446E0H, SCHEMBL460066, CTK3E6203, VNLYHYHJIXGBFX-UHFFFAOYSA-, DTXSID90344723, 4-(trifluoromethyl) phthalic acid, 4-(trifluoromethyl)-phthalic acid, WT288, KS-000011FA, ZINC2567313, ANW-45167, MFCD00671572, AKOS015852728, AJ-41390, AK-88385, CC-17027, DS-18466, SC-71375, 835-58-5 4-trifluoromethylphthalic acid, AX8007199, DB-056722, ST2405495, TR-025979, 4CH-002543, FT-0633020, W8670, 4-trifluoromethylbenzene-1,2-dicarboxylic acid, Y-8633, 1,2-Benzenedicarboxylicacid, 4-(trifluoromethyl)-, 4-(trifluoromethyl)benzene-1,2-dicarboxylic acid, A840601, C-13754, I04-5180, InChI=1/C9H5F3O4/c10-9(11,12)4-1-2-5(7(13)14)6(3-4)8(15)16/h1-3H,(H,13,14)(H,15,16), C9H5F3O4, 4-TRIFLUOROMETHYLPHTHALICACID, CID599039, T1566,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.014g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	234.13g/mol
Monoisotopic Mass	234.014g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

Lot Number