AG006TTV

50-43-1 | 2,4,6-Trichlorobenzoic Acid

AG006TTV

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CAS Number	50-43-1
Catalog Number	AG006TTV(AGN-PC-0JK7D6)
Chemical Name	2,4,6-Trichlorobenzoic Acid
IUPAC Name	2,4,6-trichlorobenzoic acid
InChI	InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChI Key	RAFFVQBMVYYTQS-UHFFFAOYSA-N
MDL Number	MFCD00060699
Molecular Formula	C7H3Cl3O2
Molecular Weight	225.4565
SMILES	O=C(O)C1=C(Cl)C=C(Cl)C=C1Cl
UNII	0BWG1HX6CK
Synonyms	2,4,6-trichlorobenzoic acid, 2,4,6-TRICHLOROBENZOIC ACID, 50-43-1, Benzoic acid, 2,4,6-trichloro-, UNII-0BWG1HX6CK, 2,4,6-Trichlorobenzoicacid, 2,4,6-Trichloro-benzoic acid, 0BWG1HX6CK, BRN 1874127, AI3-33271, RAFFVQBMVYYTQS-UHFFFAOYSA-N, MFCD00060699, 2,4,6-trichlorbenzoes, PubChem18496, ACMC-209kme, AC1Q5THI, KSC270E7F, SCHEMBL111202, 2,4,6-Ttrichlorobenzoic acid, AC1L1L35, CHEMBL566989, DTXSID9075329, CTK1H0272, KS-00000UGV, ZINC56743, ACT00451, ANW-30996, CT0092, SBB003323, AKOS015888143, AM61579, AS06872, MCULE-5331708747, RP27602, TF10415, AC-10199, AJ-09411, AN-25204, BC678272, BP-12597, L050, LS-38360, SC-16542, SY023181, AB0014503, DB-030780, RT-003981, ST2415719, TL8003346, A1724, FT-0609849, ST50307127, MFCD00060699 (95%), K-9334, I01-0359, J-507070, InChI=1/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12, Trichlorobenzoic acid, Benzoic acid, trichloro-, C7H3Cl3O2, 2,4,6-trichlorobbenzoicacid, C7-H3-Cl3-O2, CID5764, AR-1D3048, ACN-056579, T1518, 4-09-00-01010 (Beilstein Handbook Reference), 2,4,6-Trichlorobenzoic acid, 98% - 25G 25g, 1319-85-3, 52078-66-7,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.92g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.449g/mol
Monoisotopic Mass	223.92g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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