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30668-98-5

30668-98-5 | Acetic acid, 2,2,2-trichloro-, 2-butoxyethyl ester

CAS No: 30668-98-5 Catalog No: AG0030S6 MDL No:

Product Description

Catalog Number:
AG0030S6
Chemical Name:
Acetic acid, 2,2,2-trichloro-, 2-butoxyethyl ester
CAS Number:
30668-98-5
Molecular Formula:
C8H13Cl3O3
Molecular Weight:
263.5460
IUPAC Name:
2-butoxyethyl 2,2,2-trichloroacetate
InChI:
InChI=1S/C8H13Cl3O3/c1-2-3-4-13-5-6-14-7(12)8(9,10)11/h2-6H2,1H3
InChI Key:
FNYMWARMHWYZDC-UHFFFAOYSA-N
SMILES:
CCCCOCCOC(=O)C(Cl)(Cl)Cl
NSC Number:
50968

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.993g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.539g/mol
Monoisotopic Mass:
261.993g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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