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72220-51-0 | Acetyl chloride, [4-(trifluoromethoxy)phenoxy]-
CAS No: 72220-51-0 Catalog No: AG005JFP MDL No:MFCD02091505
Product Description
Catalog Number:
AG005JFP
Chemical Name:
Acetyl chloride, [4-(trifluoromethoxy)phenoxy]-
CAS Number:
72220-51-0
Molecular Formula:
C9H6ClF3O3
Molecular Weight:
254.5903
MDL Number:
MFCD02091505
IUPAC Name:
2-[4-(trifluoromethoxy)phenoxy]acetyl chloride
InChI:
InChI=1S/C9H6ClF3O3/c10-8(14)5-15-6-1-3-7(4-2-6)16-9(11,12)13/h1-4H,5H2
InChI Key:
UCKXXLDQAUINGL-UHFFFAOYSA-N
SMILES:
ClC(=O)COc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.589g/mol
Monoisotopic Mass:
253.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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