AG002X09

289039-25-4 | Benzoic acid, 3-chloro-5-iodo-

AG002X09

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CAS Number	289039-25-4
Catalog Number	AG002X09(AGN-PC-05W66B)
Chemical Name	Benzoic acid, 3-chloro-5-iodo-
IUPAC Name	3-chloro-5-iodobenzoic acid
InChI	InChI=1S/C7H4ClIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key	LFLGQMGSWYRAMO-UHFFFAOYSA-N
MDL Number	MFCD00672966
Molecular Formula	C7H4ClIO2
Molecular Weight	282.4629
SMILES	Clc1cc(I)cc(c1)C(=O)O
Synonyms	3-chloro-5-iodobenzoic acid, 289039-25-4, Benzoicacid, 3-chloro-5-iodo-, PubChem3650, 5-chloro-3-iodobenzoic acid, 3-Chloro-5-iodo-benzoic acid, SCHEMBL4757914, CTK1A1606, DTXSID50654355, Benzoic acid, 3-chloro-5-iodo-, 3-CHLORO-5-IODOBENZOICACID, ACT12175, BUTTPARK 100\01-47, KS-00000NK8, ZINC2567836, ANW-57842, MFCD00672966, SBB064659, AKOS015890194, AB06860, AS03066, CM12587, CS-W005808, DS-2179, PS-7222, AC-26020, AJ-41490, AK-34536, BC676216, SY041675, AB0043832, DB-068021, ST2417646, TC-146587, 4CH-015535, FT-0652784, Z1792, MFCD00672966 (95%), A20212, M-9715, I01-5371, C7H4ClIO2,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.894g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	282.461g/mol
Monoisotopic Mass	281.894g/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

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