AG0037FA

50-45-3 | 2,3-Dichlorobenzoic acid

AG0037FA

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CAS Number	50-45-3
Catalog Number	AG0037FA(AGN-PC-07A1WN)
Chemical Name	2,3-Dichlorobenzoic acid
EC Number	200-039-5
IUPAC Name	2,3-dichlorobenzoic acid
InChI	InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
InChI Key	QAOJBHRZQQDFHA-UHFFFAOYSA-N
MDL Number	MFCD00002413
Molecular Formula	C7H4Cl2O2
Molecular Weight	191.0115
SMILES	OC(=O)c1cccc(c1Cl)Cl
UNII	CGP39QV5WF
Synonyms	2,3-DICHLOROBENZOIC ACID, 50-45-3, Benzoic acid, 2,3-dichloro-, 2,3-Dichloro benzoic acid, 2,3-Dichorobenzoic acid, UNII-CGP39QV5WF, BRN 1946217, Benzoic acid, dichloro-, EINECS 200-039-5, CGP39QV5WF, DICHLOROBENZOIC ACID, AI3-33364, QAOJBHRZQQDFHA-UHFFFAOYSA-N, MFCD00002413, Lamotrigine Impurity E, PubChem8198, ACMC-209kmq, 2,3 dichlorobenzoic acid, DSSTox_CID_4976, 2,3-dichloro-benzoic acid, EC 200-039-5, DSSTox_RID_77605, DSSTox_GSID_24976, SCHEMBL97298, KSC273G4J, AC1L1L38, RARECHEM AL BO 0323, CHEMBL1353833, DTXSID5024976, CTK1H3344, TIMTEC-BB SBB003641, 2,3-Dichlorobenzoic acid, 97%, ZINC157872, AC1Q7279, ACT04678, KS-00000L3I, Tox21_201189, ANW-31008, SBB003641, STL195584, AKOS000119479, AM81265, AS00737, CM12640, CS-W013224, FR-2156, LS-1305, LS11460, MCULE-9359043479, RTC-062265, CAS-50-45-3, NCGC00091187-01, NCGC00091187-02, NCGC00258741-01, AC-12726, AJ-15119, AK-48292, AN-41557, SC-04874, ST088105, SY023164, AB0011183, DB-019712, ST2415648, TC-062265, TL8003347, D3319, FT-0609556, MFCD00002413 (98%), 50D453, K-9340, I01-0388, W-105960, Z56899108, 2,3-Dichlorobenzoic acid, pharmaceutical impurity standard, Lamotrigine impurity E, European Pharmacopoeia (EP) Reference Standard, InChI=1/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11, Lamotrigine Related Compound B, United States Pharmacopeia (USP) Reference Standard, 2,3-Dichlorobenzoic acid (Lamotrigine Related Compound B)(Lamotrigine Impurity E), Pharmaceutical Secondary Standard; Certified Reference Material, 2,3-dichlorbenzoesyre, 2,3-Dichlorobenzoicacid, C7H4Cl2O2, C7-H4-Cl2-O2, CID5765, 2,4(Or 2,5)-dichlorobenzoic acid, 2,3-Dichlorobenzoic acid, 98% 10g, CS-M-02269, 4-09-00-00998 (Beilstein Handbook Reference), 2,3-Dichlorobenzoic acid, 98% - 100G 100g,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.007g/mol
Monoisotopic Mass	189.959g/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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