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23379-03-5 | Acetic acid, 2,2,2-trichloro-, 2-chloro-4-(fluorosulfonyl)phenyl ester
CAS No: 23379-03-5 Catalog No: AG002N0Z MDL No:
Product Description
Catalog Number:
AG002N0Z
Chemical Name:
Acetic acid, 2,2,2-trichloro-, 2-chloro-4-(fluorosulfonyl)phenyl ester
CAS Number:
23379-03-5
Molecular Formula:
C8H3Cl4FO4S
Molecular Weight:
355.9824
IUPAC Name:
(2-chloro-4-fluorosulfonylphenyl) 2,2,2-trichloroacetate
InChI:
InChI=1S/C8H3Cl4FO4S/c9-5-3-4(18(13,15)16)1-2-6(5)17-7(14)8(10,11)12/h1-3H
InChI Key:
OCTQHHDGKHCYKV-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)Oc1ccc(cc1Cl)S(=O)(=O)F
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.846g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.966g/mol
Monoisotopic Mass:
353.849g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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