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91961-44-3

91961-44-3 | 5-Benzyl-3-methylisoxazole-4-carbonyl chloride

CAS No: 91961-44-3 Catalog No: AG01EDB8 MDL No:

Product Description

Catalog Number:
AG01EDB8
Chemical Name:
5-Benzyl-3-methylisoxazole-4-carbonyl chloride
CAS Number:
91961-44-3
IUPAC Name:
5-benzyl-3-methyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C12H10ClNO2/c1-8-11(12(13)15)10(16-14-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
KJWSRBJLRPTZAR-UHFFFAOYSA-N

Properties

Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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