AG002EXI

19094-48-5 | Benzoic acid, 3,5-diiodo-

AG002EXI

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CAS Number	19094-48-5
Catalog Number	AG002EXI(AGN-PC-0JM331)
Chemical Name	Benzoic acid, 3,5-diiodo-
IUPAC Name	3,5-diiodobenzoic acid
InChI	InChI=1S/C7H4I2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key	FHTJRJBWLBXVPO-UHFFFAOYSA-N
MDL Number	MFCD00463860
Molecular Formula	C7H4I2O2
Molecular Weight	373.9144
NSC Number	149429
SMILES	OC(=O)C1=CC(I)=CC(I)=C1
Synonyms	3,5-Diiodobenzoic acid, 19094-48-5, 3,5-Diiodo-benzoic acid, Benzoic acid, 3,5-diiodo-, 3,5-Diiodobenzoate, NSC 149429, BRN 1940697, 3,5-Diiodo-benzoicacid, NSC149429, PubChem3839, 3-09-00-01454 (Beilstein Handbook Reference), AKOS AKM01581, SCHEMBL422824, AC1L409P, CTK8B9921, KS-00000KEW, 3,5-DIIODO BENZOIC ACID, DTXSID30172603, FHTJRJBWLBXVPO-UHFFFAOYSA-N, ACT12222, ZINC4014502, 9925AA, ANW-63581, MFCD00463860, STK366066, AKOS005068133, AB06171, AC-6647, AN-9819, AS02132, CD-1277, CM12694, MCULE-7466185379, NSC-149429, VZ25792, NCGC00341812-01, AJ-47677, AK-79041, DS-17542, LS-37090, SY041542, DB-017485, TC-152326, FT-0614627, ST24041239, ST50866819, MFCD00463860 (95%), D17900, AB01334405-02, 094D485, I01-5323, J-012334, Z277540160, C7H4I2O2, C7-H4-I2-O2, CID98577, A4213,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	373.83g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	373.916g/mol
Monoisotopic Mass	373.83g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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