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72421-98-8

72421-98-8 | 5-Methyl-3-phenethylisoxazole-4-carbonyl chloride

CAS No: 72421-98-8 Catalog No: AG01ECXQ MDL No:

Product Description

Catalog Number:
AG01ECXQ
Chemical Name:
5-Methyl-3-phenethylisoxazole-4-carbonyl chloride
CAS Number:
72421-98-8
IUPAC Name:
5-methyl-3-(2-phenylethyl)-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C13H12ClNO2/c1-9-12(13(14)16)11(15-17-9)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key:
CVFPAUAVWSMIPZ-UHFFFAOYSA-N

Properties

Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.694g/mol
Monoisotopic Mass:
249.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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