Home Halogens 3-(Trifluoromethyl)phenyl chloroformate

3-(Trifluoromethyl)phenyl chloroformate

CAS No.:
95668-29-4
Catalog Number:
AG003IB2
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.5644
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Product Description
Catalog Number:
AG003IB2
Chemical Name:
3-(Trifluoromethyl)phenyl chloroformate
CAS Number:
95668-29-4
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.5644
MDL Number:
MFCD02093719
IUPAC Name:
[3-(trifluoromethyl)phenyl] carbonochloridate
InChI:
InChI=1S/C8H4ClF3O2/c9-7(13)14-6-3-1-2-5(4-6)8(10,11)12/h1-4H
InChI Key:
VOQHHELXYARECQ-UHFFFAOYSA-N
SMILES:
ClC(=O)Oc1cccc(c1)C(F)(F)F
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.985g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.563g/mol
Monoisotopic Mass:
223.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties