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5197-62-6

5197-62-6 | 2-(2-(2-Chloroethoxy)ethoxy)ethanol

CAS No: 5197-62-6 Catalog No: AG0038O9 MDL No:MFCD00043138

Product Description

Catalog Number:
AG0038O9
Chemical Name:
2-(2-(2-Chloroethoxy)ethoxy)ethanol
CAS Number:
5197-62-6
Molecular Formula:
C6H13ClO3
Molecular Weight:
168.6186
MDL Number:
MFCD00043138
IUPAC Name:
2-[2-(2-chloroethoxy)ethoxy]ethanol
InChI:
InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2
InChI Key:
KECMLGZOQMJIBM-UHFFFAOYSA-N
SMILES:
OCCOCCOCCCl
EC Number:
225-984-0
NSC Number:
2636

Properties

Complexity:
61  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.055g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.617g/mol
Monoisotopic Mass:
168.055g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

Literature

Title Journal
Click-generated triazole ureas as ultrapotent in vivo-active serine hydrolase inhibitors. Nature chemical biology 20110701

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