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127220-28-4 | 1,3-Dioxolan-4-one, 5-(phenylmethylene)-2-(trichloromethyl)-, (E)- (9CI)
CAS No: 127220-28-4 Catalog No: AG000WRD MDL No:
Product Description
Catalog Number:
AG000WRD
Chemical Name:
1,3-Dioxolan-4-one, 5-(phenylmethylene)-2-(trichloromethyl)-, (E)- (9CI)
CAS Number:
127220-28-4
Molecular Formula:
C11H7Cl3O3
Molecular Weight:
293.5305
IUPAC Name:
5-benzylidene-2-(trichloromethyl)-1,3-dioxolan-4-one
InChI:
InChI=1S/C11H7Cl3O3/c12-11(13,14)10-16-8(9(15)17-10)6-7-4-2-1-3-5-7/h1-6,10H
InChI Key:
KOYHMLBYBWBCNG-UHFFFAOYSA-N
SMILES:
ClC(C1O/C(=C/c2ccccc2)/C(=O)O1)(Cl)Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.524g/mol
Monoisotopic Mass:
291.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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