AG0036SL

954815-11-3 | 4-Iodo-2-(trifluoromethyl)benzoic acid

AG0036SL

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CAS Number	954815-11-3
Catalog Number	AG0036SL(AGN-PC-01LMCZ)
Chemical Name	4-Iodo-2-(trifluoromethyl)benzoic acid
IUPAC Name	4-iodo-2-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F3IO2/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
InChI Key	XSQLEPZNGCNYKF-UHFFFAOYSA-N
MDL Number	MFCD09881756
Molecular Formula	C8H4F3IO2
Molecular Weight	316.0158
SMILES	IC1=CC(=C(C(=O)O)C=C1)C(F)(F)F
Synonyms	4-Iodo-2-(trifluoromethyl)benzoic acid, 954815-11-3, AK-93564, SCHEMBL695647, CTK8B6365, DTXSID50589916, XSQLEPZNGCNYKF-UHFFFAOYSA-N, KS-00000Q0W, 6457AC, ANW-53346, MFCD09881756, WT1512, ZINC20436066, 4-Iodo-2-trifluoromethyl-benzoic acid, AKOS000109366, FCH1394986, AJ-77518, DS-17858, AX8230948, TC-142091, 4CH-011761, BB 0244813, ST24023577, 954815-11-3 2-(trifluoromethyl)-4-iodobenzoic acid, C8H4F3IO2, 4-Iodo-2-(trifluoromethyl)benzoicacid,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.921g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	316.018g/mol
Monoisotopic Mass	315.921g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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