AG001FLY

1483-47-2 | 2-(trifluoromethyl)-1,4-Benzenedicarboxylic acid

AG001FLY

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CAS Number	1483-47-2
Catalog Number	AG001FLY(AGN-PC-000P1V)
Chemical Name	2-(trifluoromethyl)-1,4-Benzenedicarboxylic acid
IUPAC Name	2-(trifluoromethyl)terephthalic acid
InChI	InChI=1S/C9H5F3O4/c10-9(11,12)6-3-4(7(13)14)1-2-5(6)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChI Key	VILUXUCAKGZKCA-UHFFFAOYSA-N
MDL Number	MFCD06208277
Molecular Formula	C9H5F3O4
Molecular Weight	234.1288
SMILES	O=C(O)C1=CC=C(C(O)=O)C=C1C(F)(F)F
Synonyms	2-(Trifluoromethyl)terephthalic acid, 1483-47-2, 1,4-Benzenedicarboxylic acid, 2-(trifluoromethyl)-, SCHEMBL7026695, DTXSID20557349, 2-Trifluoromethyl-terephthalic acid, MFCD06208277, ZINC34247040, AKOS022171874, AJ-87631, AK136308, AX8257876, A3247, 2-(trifluoromethyl)-1,4-Benzenedicarboxylicacid, 2-(trifluoromethyl)-1,4-Benzenedicarboxylic acid, 2-(Trifluoromethyl)benzene-1,4-dicarboxylic acid,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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