AG007835

3964-58-7 | 3-Chloro-4-hydroxybenzoic acid

AG007835

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CAS Number	3964-58-7
Catalog Number	AG007835(AGN-PC-0JKEXT)
Chemical Name	3-Chloro-4-hydroxybenzoic acid
EC Number	223-574-6
IUPAC Name	3-chloro-4-hydroxybenzoic acid
InChI	InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChI Key	QGNLHMKIGMZKJX-UHFFFAOYSA-N
MDL Number	MFCD00002549
Molecular Formula	C7H5ClO3
Molecular Weight	172.5658
NSC Number	21186
SMILES	O=C(O)C1=CC=C(O)C(Cl)=C1
Synonyms	3-chloro-4-hydroxybenzoate, 3-CHLORO-4-HYDROXYBENZOIC ACID, 3964-58-7, Benzoic acid, 3-chloro-4-hydroxy-, 3-chloro-4-hydroxy-benzoic acid, QGNLHMKIGMZKJX-UHFFFAOYSA-N, MFCD00002549, EINECS 223-574-6, NSC 21186, PubChem13038, ACMC-209vmh, AC1L2F0W, 3-chloro-4hydroxybenzoic acid, 3-chloro4-hydroxybenzoic acid, SCHEMBL184485, 4-hydroxy-3-chlorobenzoic acid, 3-Chloro-4-hydroxybenzoic scid, Jsp006880, 3-chloro-4-hydroxy benzoic acid, CTK8B4484, DTXSID50192747, ZINC404324, ACN-S003398, BCP24557, NSC21186, ANW-45255, NSC-21186, SBB008420, AKOS000120563, AC-2672, FR-2027, MCULE-2317780312, RTR-015841, KS-000010D7, NCGC00336386-01, AJ-22329, AK-88406, AM806836, AN-13763, SC-15008, AB0033978, DB-049457, ST2405018, TR-015841, CS-0063147, FT-0082317, FT-0615406, ST50825028, X8058, K-8511, AB01330439-02, Benzoic acid, 3-chloro-4-hydroxy- (8CI)(9CI), I01-10338, Z271137848, 3-Chloro-4-Hydroxybenzoic Acid, May Contain up to ca 6% Water, InChI=1/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11, 3-Chloro-4-hydroxybenzoate, C7H5ClO3, C7-H5-Cl-O3, CID19860, c1128, 3-Chloro-4-hydroxybenzoic acid hemihydrate, 3-Chloro-4-hydroxybenzoic acid hemihydrate, 98% - 100G 100g, CHB,

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

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

Lot Number