763110-09-4
3-(BUTYLTHIO)-4-CHLOROBENZOIC ACID
Name
3-(BUTYLTHIO)-4-CHLOROBENZOIC ACID
Formula
C11 H13 Cl O2 S
MolWeight
244.741
1Identification
【Name】
3-(BUTYLTHIO)-4-CHLOROBENZOIC ACID
【CAS】
【MDL】
MFCD06199305
【English Synonyms】
【Formula】
C11 H13 Cl O2 S
【MolWeight】
244.741
【Inchi】
InChI=1S/C11H13ClO2S/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
【InChIKey】
InChIKey=NLJZCBWUKAMAJS-UHFFFAOYSA-N
【SMILES】
CCCCSc1cc(ccc1Cl)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(BUTYLTHIO)-4-CHLOROBENZOIC ACID.cml
Quick Release
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Sigma-Aldrich Corporation
Catalog No:L479276-10MG 10MG
Country/Region:United States
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Catalog No:L479276-10MG 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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