AG002LHR

229178-74-9 | Benzoic acid, 2,6-difluoro-3-iodo-

AG002LHR

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CAS Number	229178-74-9
Catalog Number	AG002LHR(AGN-PC-08XZ1I)
Chemical Name	Benzoic acid, 2,6-difluoro-3-iodo-
IUPAC Name	2,6-difluoro-3-iodobenzoic acid
InChI	InChI=1S/C7H3F2IO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,(H,11,12)
InChI Key	LBYMGWJMJSYYKG-UHFFFAOYSA-N
MDL Number	MFCD11040446
Molecular Formula	C7H3F2IO2
Molecular Weight	283.9988
SMILES	O=C(O)C1=C(F)C=CC(I)=C1F
Synonyms	2,6-difluoro-3-iodobenzoic acid, 229178-74-9, Benzoic acid, 2,6-difluoro-3-iodo-, 2,6-Difluoro-3-iodobenzoicacid, SCHEMBL11991561, CTK4F0455, DTXSID50679220, 2,6-Difluoro-3-iodo-Benzoicacid, 3-Iodo-2,6-difluorobenzoic acid, KS-00000CZ5, ANW-47052, Benzoic acid,2,6-difluoro-3-iodo-, MFCD11040446, ZINC36532785, AKOS015998698, ACN-028780, DS-1822, TRA0024935, AJ-93069, AK-85650, SY032968, AB0023583, DB-015927, ST2415929, TC-135797, 4CH-014869, FT-0749053, W4663, MFCD11040446 (95%), A18482, M-8755, C7H3F2IO2,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.915g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	284g/mol
Monoisotopic Mass	283.915g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number