Home Halogens 2-(1-chloroethyl)-4-ethyl-5-phenyl-1,3-oxazole

2-(1-chloroethyl)-4-ethyl-5-phenyl-1,3-oxazole

CAS No.:
1094382-58-7
Catalog Number:
AG01A04D
Molecular Formula:
C13H14ClNO
Molecular Weight:
235.7094
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Product Description
Catalog Number:
AG01A04D
Chemical Name:
2-(1-chloroethyl)-4-ethyl-5-phenyl-1,3-oxazole
CAS Number:
1094382-58-7
Molecular Formula:
C13H14ClNO
Molecular Weight:
235.7094
MDL Number:
MFCD11182487
IUPAC Name:
2-(1-chloroethyl)-4-ethyl-5-phenyl-1,3-oxazole
InChI:
InChI=1S/C13H14ClNO/c1-3-11-12(10-7-5-4-6-8-10)16-13(15-11)9(2)14/h4-9H,3H2,1-2H3
InChI Key:
LPHDCMASAZJOEC-UHFFFAOYSA-N
SMILES:
CCc1nc(oc1c1ccccc1)C(Cl)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.711g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties