42943-68-0
(4-BROMO-2-METHYL-PHENYLSULFANYL)-ACETIC ACID
Name(4-BROMO-2-METHYL-PHENYLSULFANYL)-ACETIC ACID
1Identification
【Name】
(4-BROMO-2-METHYL-PHENYLSULFANYL)-ACETIC ACID
【CAS】
【MDL】
MFCD00519331
【English Synonyms】
【Formula】
C9 H9 Br O2 S
【MolWeight】
261.138
【Inchi】
InChI=1S/C9H9BrO2S/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
【InChIKey】
InChIKey=QHBXVUSHFQLTOB-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1SCC(=O)O)Br
【MOL File】
(4-BROMO-2-METHYL-PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-BROMO-2-METHYL-PHENYLSULFANYL)-ACETIC ACID.cml