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136749-73-0 | 1,2-Dioxetane, 3-(chloromethyl)-3-phenyl-
CAS No: 136749-73-0 Catalog No: AG0012AI MDL No:
Product Description
Catalog Number:
AG0012AI
Chemical Name:
1,2-Dioxetane, 3-(chloromethyl)-3-phenyl-
CAS Number:
136749-73-0
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
IUPAC Name:
3-(chloromethyl)-3-phenyldioxetane
InChI:
InChI=1S/C9H9ClO2/c10-6-9(7-11-12-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
IKHANRAIRKLWMQ-UHFFFAOYSA-N
SMILES:
ClCC1(COO1)c1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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