AG004DNN

87932-49-8 | 3-Chloro-4,5-dihydroxybenzoic acid

AG004DNN

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CAS Number	87932-49-8
Catalog Number	AG004DNN(AGN-PC-0JL05A)
Chemical Name	3-Chloro-4,5-dihydroxybenzoic acid
IUPAC Name	3-chloro-4,5-dihydroxybenzoic acid
InChI	InChI=1S/C7H5ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)
InChI Key	GGUNECQLDCNDDY-UHFFFAOYSA-N
MDL Number	MFCD01742816
Molecular Formula	C7H5ClO4
Molecular Weight	188.5652
NSC Number	21187
SMILES	O=C(O)C1=CC(O)=C(O)C(Cl)=C1
Synonyms	3-Chloro-4,5-dihydroxybenzoic acid, 87932-49-8, Benzoic acid, 3-chloro-4,5-dihydroxy-, AK142333, NSC 21187, AC1L1GUU, SCHEMBL1458206, CTK3F0297, GGUNECQLDCNDDY-UHFFFAOYSA-N, KS-00000RW6, NSC21187, ZINC1577483, FCH844687, MFCD01742816, NSC-21187, AKOS006275956, DS-7518, 79188-95-7, AJ-27409, AX8282191, ST24042024, TAZADOLENE, C7-H5-Cl-O4, CID54358,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.988g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	188.563g/mol
Monoisotopic Mass	187.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number