AG003306

50-79-3 | 2,5-Dichlorobenzoic acid

AG003306

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CAS Number	50-79-3
Catalog Number	AG003306(AGN-PC-0JK7DD)
Chemical Name	2,5-Dichlorobenzoic acid
IUPAC Name	2,5-dichlorobenzoic acid
InChI	InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key	QVTQYSFCFOGITD-UHFFFAOYSA-N
MDL Number	MFCD00002416
Molecular Formula	C7H4Cl2O2
Molecular Weight	191.0115
NSC Number	41889
SMILES	ClC1=C(C(=O)O)C=C(C=C1)Cl
UNII	KP7CMR0GSD
Synonyms	2,5-dichlorobenzoate, 2,5-dichlorobenzoate sodium, 2,5-dichlorobenzoic acid, 2,5-DICHLOROBENZOIC ACID, 50-79-3, Benzoic acid, 2,5-dichloro-, UNII-KP7CMR0GSD, 2,5-dichlorobenzoicacid, KP7CMR0GSD, EINECS 200-065-7, NSC 41889, 2,5-Dichloro-benzoic acid, BRN 0973353, AI3-33415, 2,5-Dichlorobenzoic acid, 97%, QVTQYSFCFOGITD-UHFFFAOYSA-N, MFCD00002416, 35915-19-6, CCRIS 8609, PubChem3685, 2,5dichlorobenzoic acid, WLN: QVR BG EG, DSSTox_CID_4978, ACMC-209kq1, 2,5-dichloro benzoic acid, AC1L1L4Q, AC1Q72ZM, DSSTox_RID_77607, DSSTox_GSID_24978, KSC224Q6P, SCHEMBL224469, CHEMBL326312, RARECHEM AL BO 0355, DTXSID5024978, CTK1C4867, KS-00000COB, CHEBI:132298, OTAVA-BB 1312862, ZINC159786, BENZOIC ACID,2,5-DICHLORO, NSC41889, EINECS 252-788-2, Tox21_200321, ANW-31127, BBL015368, LS-144, NSC-41889, SBB064047, STK803302, AKOS000119480, AS00768, BS-4048, CS-W013225, LS11832, MCULE-6843789690, RP25046, RTR-032762, TRA0049370, CAS-50-79-3, NCGC00091859-01, NCGC00091859-02, NCGC00091859-03, NCGC00257875-01, AC-10697, AJ-15527, AK-47665, AN-41580, BR-47665, H610, SC-75843, SY013549, TL8003365, TR-032762, AM20050122, D0338, FT-0610304, ST24032294, ST45024155, M-5035, AB01329944-02, MFCD00002416 (97+%), 002D416, W-105930, F0001-1303, 2,5-Dichlorobenzoic acid, PESTANAL(R), analytical standard, InChI=1/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11, flavin semiquinone, 2,5-Dichlorobenzoate, 2,5-dichlorbenzoesyre, 2,5-diclorobenzoic acid, Benzoic acid,5-dichloro-, DICHLOROBENZOIC ACID, C7H4Cl2O2, C7-H4-Cl2-O2, CID5784, 2,4(Or 2,5)-dichlorobenzoic acid, Benzoic acid, 2,4(or 2,5)-dichloro-, 4-09-00-01005 (Beilstein Handbook Reference), 2,5-Dichlorobenzoic acid, 99% - 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	2.8

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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