AG003FDC

50-74-8 | 2,3,4,5-Tetrachlorobenzoic acid

AG003FDC

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CAS Number	50-74-8
Catalog Number	AG003FDC(AGN-PC-0WCZ8I)
Chemical Name	2,3,4,5-Tetrachlorobenzoic acid
IUPAC Name	2,3,4,5-tetrachlorobenzoic acid
InChI	InChI=1S/C7H2Cl4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
InChI Key	FUXMTEKFGUWSNC-UHFFFAOYSA-N
MDL Number	MFCD00061126
Molecular Formula	C7H2Cl4O2
Molecular Weight	259.9016
SMILES	O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl
Synonyms	2,3,4,5-TETRACHLOROBENZOIC ACID, 50-74-8, Benzoic acid, 2,3,4,5-tetrachloro-, BRN 1968627, AI3-33359, FUXMTEKFGUWSNC-UHFFFAOYSA-N, Benzoic acid, tetrachloro-, 2,3,4,5-Tetrachloro Benzoic Acid, tetrachlorobenzoic acid, PubChem20579, ACMC-1ATTI, AC1L1L4K, AC1Q3L6K, C7H2Cl4O2, SCHEMBL1437003, 2,3,4,5-Tetrachlorobenzoicacid, CTK4J3121, 3,4,5,6-tetrachlorobenzoic acid, 2,3,4,5-tetrachloro-benzoic acid, KS-00000XD3, ZINC2041386, ANW-31121, MFCD00061126, Benzoic acid,2,3,4,5-tetrachloro-, AKOS015963373, 2,4,5,6(1H,3H)-Pyrimidinetetraone, AS04567, 27358-02-7, AC-19970, AJ-33309, AN-41576, H599, LS-38293, DB-019639, TC-119866, FT-0698492, ST24038457, I01-19457, C7-H2-Cl4-O2, CID5782, AIDS018020, AR-1D1983, ACN-032384, T2378, 4-09-00-01010 (Beilstein Handbook Reference), 52270-44-7,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.878g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	259.891g/mol
Monoisotopic Mass	257.881g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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