Home Halogens 4-(4-chlorobenzoyl)oxane

4-(4-chlorobenzoyl)oxane

CAS No.:
1344053-12-8
Catalog Number:
AG01BFET
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
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Product Description
Catalog Number:
AG01BFET
Chemical Name:
4-(4-chlorobenzoyl)oxane
CAS Number:
1344053-12-8
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
MDL Number:
MFCD17243713
IUPAC Name:
(4-chlorophenyl)-(oxan-4-yl)methanone
InChI:
InChI=1S/C12H13ClO2/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-4,10H,5-8H2
InChI Key:
PPRDLSGRVFIVKS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)C1CCOCC1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.684g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties