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206986-86-9 | Carbonochloridic acid, chloro[2-(trifluoromethyl)phenyl]methyl ester
CAS No: 206986-86-9 Catalog No: AG002ISF MDL No:
Product Description
Catalog Number:
AG002ISF
Chemical Name:
Carbonochloridic acid, chloro[2-(trifluoromethyl)phenyl]methyl ester
CAS Number:
206986-86-9
Molecular Formula:
C9H5Cl2F3O2
Molecular Weight:
273.0360
IUPAC Name:
[chloro-[2-(trifluoromethyl)phenyl]methyl] carbonochloridate
InChI:
InChI=1S/C9H5Cl2F3O2/c10-7(16-8(11)15)5-3-1-2-4-6(5)9(12,13)14/h1-4,7H
InChI Key:
KQELEQGMABOYIM-UHFFFAOYSA-N
SMILES:
ClC(=O)OC(c1ccccc1C(F)(F)F)Cl
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.962g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.032g/mol
Monoisotopic Mass:
271.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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