AG00G70Z

766473-89-6 | 2-Iodo-3-(trifluoromethyl)benzoic acid

AG00G70Z

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CAS Number	766473-89-6
Catalog Number	AG00G70Z(AGN-PC-0WAN36)
Chemical Name	2-Iodo-3-(trifluoromethyl)benzoic acid
IUPAC Name	2-iodo-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F3IO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,(H,13,14)
InChI Key	DNGSEJLGVHIEEZ-UHFFFAOYSA-N
MDL Number	MFCD08059374
Molecular Formula	C8H4F3IO2
Molecular Weight	316.0158
SMILES	O=C(O)C1=CC=CC(C(F)(F)F)=C1I
Synonyms	2-Iodo-3-(trifluoromethyl)benzoic acid, 766473-89-6, AK136438, SCHEMBL1626644, 3-Carboxy-2-iodobenzotrifluoride, CTK7I8813, DTXSID20562170, DNGSEJLGVHIEEZ-UHFFFAOYSA-N, ZX-AP012029, MFCD08059374, PC5275, ZINC16159338, AKOS022171915, DS-5523, FCH1386239, AJ-68656, DA-03533, AX8258006, CS-0041029, FT-0747547, ST24040707, 3-Carboxy-2-iodo-alpha,alpha,alpha-trifluorotoluene,

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

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