AG003IG2

51-44-5 | 3,4-Dichlorobenzoic Acid

AG003IG2

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CAS Number	51-44-5
Catalog Number	AG003IG2(AGN-PC-0JK7DW)
Chemical Name	3,4-Dichlorobenzoic Acid
IUPAC Name	3,4-dichlorobenzoic acid
InChI	InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key	VPHHJAOJUJHJKD-UHFFFAOYSA-N
MDL Number	MFCD00002492
Molecular Formula	C7H4Cl2O2
Molecular Weight	191.0115
SMILES	C1=C(C=CC(=C1Cl)Cl)C(O)=O
UNII	YS4ZR9BXWX
Synonyms	3,4-dichlorobenzoic acid, 3,4-dichlorobenzoic acid, potassium salt, 3,4-DICHLOROBENZOIC ACID, 51-44-5, Benzoic acid, 3,4-dichloro-, UNII-YS4ZR9BXWX, 3,4-Dichloro-benzoic acid, YS4ZR9BXWX, EINECS 200-099-2, NSC 17583, BRN 2044777, AI3-04213, CHEBI:49401, VPHHJAOJUJHJKD-UHFFFAOYSA-N, MFCD00002492, Benzoic acid,4-dichloro-, WLN: QVR CG DG, 34Z, NSC17583, PubChem3686, ACMC-209kts, AC1Q3MXQ, DSSTox_CID_4980, AC1L1L7E, DSSTox_RID_77609, DSSTox_GSID_24980, Benzoicacid, 3,4-dichloro-, KSC272C0B, AKOS AKM01129, CHEMBL21015, SCHEMBL371998, 3,4-DCBA, AC1Q72Z9, RARECHEM AL BO 0329, 3,4-DICHLOROBEZOIC ACID, DTXSID9024980, CTK1H2100, KS-00000JFW, 3,4-Dichlorobenzoic acid, 99%, OTAVA-BB 1051719, ZINC388271, BENZOIC ACID,3,4-DICHLORO, NSC34414, Tox21_200322, ANW-31262, LS-157, NSC-17583, NSC-34414, SBB063116, STL168893, AKOS000119790, AC-2437, AS00789, MCULE-8161439486, RP25050, RTR-018321, TRA0084282, CAS-51-44-5, NCGC00091648-01, NCGC00091648-02, NCGC00257876-01, AJ-20520, AK-46631, AN-13950, AS-13091, BR-46631, H296, SY001131, DB-051963, ST2410249, TR-018321, AM20050124, BB 0221129, D0340, FT-0614231, ST50406564, M-5924, MFCD00002492 (97+%), AE-562/43459830, I01-0390, W-105891, F2191-0070, Z1258992440, 3,4-Dichlorobenzoic acid, PESTANAL(R), analytical standard, InChI=1/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11, Synstigmine, Syntostigmin, Vagostigmin, 3,4-dichlorobenzoate, 3,4-dichlorbenzoesyre, 3,4-Dichlorobenzoicacid, C7H4Cl2O2, C7-H4-Cl2-O2, CID5817, AR-1E9079, 4-09-00-01006 (Beilstein Handbook Reference), 3,4-Dichlorobenzoic acid, 98.5% - 100G 100g, 52645-97-3,

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	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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Certificate of Analysis

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