AG003GY2

51546-12-4 | 2-Chloro-5-(methylthio)benzoic acid

AG003GY2

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CAS Number	51546-12-4
Catalog Number	AG003GY2(AGN-PC-0JTQ4P)
Chemical Name	2-Chloro-5-(methylthio)benzoic acid
IUPAC Name	2-chloro-5-methylsulfanylbenzoic acid
InChI	InChI=1S/C8H7ClO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	HJDZJDJRUVAYTR-UHFFFAOYSA-N
MDL Number	MFCD00009721
Molecular Formula	C8H7ClO2S
Molecular Weight	202.6580
SMILES	O=C(O)C1=CC(SC)=CC=C1Cl
Synonyms	51546-12-4, 2-Chloro-5-(methylthio)benzoic acid, 2-chloro-5-methylsulfanylbenzoic acid, 2-Chloro-5-(methylsulfanyl)benzoic acid, HJDZJDJRUVAYTR-UHFFFAOYSA-N, 2-Chloro-5-methylthio benzoic acid, 2-Chloro-5-(methylthio)benzoic acid, tech, 2-Chloro-5-methylsulfanylbenzoicacid, ACMC-20anzf, PubChem10797, Benzoic acid, 2-chloro-5-(methylthio)-, AC1LCY9P, AC1Q4GXE, SCHEMBL1285810, CTK4J4438, DTXSID80346019, ZINC156017, ALBB-031646, MFCD00009721, SBB057774, 2-chloro-5-(methylthio) benzoic acid, 2-Chloro-5-(methylthio)-benzoic acid, AKOS000119459, 2-chloro-5-methylsulfanyl-benzoic acid, MCULE-7054958677, NE26844, PS-3874, Benzoic acid,2-chloro-5-(methylthio)-, KS-00002A21, NCGC00336448-01, AJ-13666, AK-65172, AN-41248, 2-Chloro-5-(methylsulfanyl)benzoic acid #, 2-CHLORO-5-(METHYLTHIO)BENZOICACID, AB1002143, TC-170754, TL8006804, FT-0703209, ST50319957, X4585, AB01329656-02, I01-17958, Z256709216, 2-Chloro-5-(methylthio)benzoic acid, technical grade, 96%, InChI=1/C8H7ClO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11, null, C8H7ClO2S, 2-chloro-5-methylthiobenzoic acid, CID608814, 2-Chloro-5-methyl sulfanyl benzoic acid, A7601,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.986g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.652g/mol
Monoisotopic Mass	201.986g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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