AG0033JA

51-36-5 | 3,5-Dichlorobenzoic acid

AG0033JA

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CAS Number	51-36-5
Catalog Number	AG0033JA(AGN-PC-0JK7DU)
Chemical Name	3,5-Dichlorobenzoic acid
EC Number	200-092-4
IUPAC Name	3,5-dichlorobenzoic acid
InChI	InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key	CXKCZFDUOYMOOP-UHFFFAOYSA-N
MDL Number	MFCD00002494
Molecular Formula	C7H4Cl2O2
Molecular Weight	191.0115
SMILES	C1=C(C=C(C=C1C(O)=O)Cl)Cl
UNII	7BAA7R70GN
Synonyms	3,5-dichlorobenzoic acid, 3,5-dichlorosodium benzoate, 3,5-DICHLOROBENZOIC ACID, 51-36-5, Benzoic acid, 3,5-dichloro-, 3,5-Dichloro-benzoic acid, UNII-7BAA7R70GN, EINECS 200-092-4, BRN 2044776, 7BAA7R70GN, AI3-27555, CHEMBL118280, CXKCZFDUOYMOOP-UHFFFAOYSA-N, MFCD00002494, CCRIS 8611, ACMC-209ktc, 3,5-DichlorobenzoicAcid, AC1Q3LKU, 3 5-dichlorobenzoic acid, DSSTox_CID_4981, 3,5-dichloro benzoic acid, AC1L1L6W, AC1Q72ZJ, DSSTox_RID_77610, DSSTox_GSID_24981, SCHEMBL23699, 4-09-00-01008 (Beilstein Handbook Reference), KSC271E8H, RARECHEM AL BO 0040, DTXSID4024981, CTK1H1283, KS-00000CAT, 3,5-Dichlorobenzoic acid, 97%, BUTTPARK 45\07-34, ZINC152667, CS-D1400, STR05308, Tox21_200155, ANW-31246, BBL011969, BDBM50405309, CD0098, LABOTEST-BB LT00032133, LABOTEST-BB LT03329693, LABOTEST-BB LT03333498, LS-155, SBB056677, STK802684, AKOS000119495, AB00229, AC-2500, AS00758, CM12642, MCULE-2315429797, PS-3241, RP03747, RTR-018302, TRA0023805, CAS-51-36-5, NCGC00091834-01, NCGC00091834-02, NCGC00091834-03, NCGC00257709-01, AJ-12777, AK-47334, AN-13941, BR-47334, SC-22500, SY001678, AB0008554, DB-022029, ST2410298, TR-018302, AM20060093, D0341, FT-0614558, ST50308119, MFCD00002494 (98%), 51D365, Q-8882, AB01329951-02, AE-562/43099674, I01-0389, W-105901, F0001-1332, Z256708928, InChI=1/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11, 75248-87-2, Diobutil, 3,5-dichlorbenzoesyre, Benzoic acid, dichloro-, 3,5-Dichlorobenzic acid, C7H4Cl2O2, C7-H4-Cl2-O2, CID5811, AR-1E9597, 3,5-Dichlorobenzoic acid, 98% - 100G 100g, 3,5-Dichlorobenzoic acid (<lt/> 100 microg/ml) in tert-butyl methyl ether, 79079-18-8,

Complexity	151
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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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