AG002488

1829-32-9 | Benzoic acid, 3-chloro-2-hydroxy-

AG002488

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CAS Number	1829-32-9
Catalog Number	AG002488(AGN-PC-0JLBPL)
Chemical Name	Benzoic acid, 3-chloro-2-hydroxy-
EC Number	217-379-5
IUPAC Name	3-chloro-2-hydroxybenzoic acid
InChI	InChI=1S/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
InChI Key	PPINMMULCRBDOS-UHFFFAOYSA-N
MDL Number	MFCD00010390
Molecular Formula	C7H5ClO3
Molecular Weight	172.5658
NSC Number	18854
SMILES	ClC=1C(=C(C(=O)O)C=CC1)O
Synonyms	3-Chlorosalicylic acid, 3-Chloro-2-hydroxybenzoic acid, 1829-32-9, Benzoic acid, 3-chloro-2-hydroxy-, Salicylic acid, 3-chloro-, 3-Chlorosalicylic acid, 98%, 3-chloro-2-hydroxy-benzoic acid, Benzoic acid, chloro-2-hydroxy-, PPINMMULCRBDOS-UHFFFAOYSA-N, EINECS 217-379-5, MFCD00010390, NSC 18854, PubChem18184, ACMC-209yri, 3-chloro salicylic acid, AC1Q3OUG, 3-chlorohydroxybenzoic acid, AC1L2M7X, KSC176K2F, SCHEMBL372307, AC1Q72H5, 2-hydroxy-3-chloro-benzoic acid, 3-chloro-2-hydroxy benzoic acid, CTK0H6522, DTXSID10171356, 3-Chloro-2-hydroxybenzoic acid #, ZINC409232, ACT07348, KS-00000ZL4, NSC18854, Salicylic acid, 3-chloro- (8CI), ANW-49324, CL8078, NSC-18854, STL118201, AKOS005166743, CM12584, FS-3246, MCULE-3367360630, TRA0002672, AJ-22690, AK-75898, AN-49959, BR-75898, H234, SC-16343, AB0012938, Benzoic acid, 3-chloro-2-hydroxy- (9CI), DB-044478, RT-000779, ST2417611, 4CH-015546, AM20060531, FT-0615531, M-2766, 829C329, I04-9309, J-011707, InChI=1/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11, C7H5ClO3, C7-H5-Cl-O3, CID74585, AR-1F2529, ACN-052124, 562-08-3,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.993g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.564g/mol
Monoisotopic Mass	171.993g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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