Home Halogens 4-(tert-butoxy)-1-chlorobut-3-en-2-one

4-(tert-butoxy)-1-chlorobut-3-en-2-one

CAS No.:
1909358-94-6
Catalog Number:
AG01C2YW
Molecular Formula:
C8H13ClO2
Molecular Weight:
176.6406
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Product Description
Catalog Number:
AG01C2YW
Chemical Name:
4-(tert-butoxy)-1-chlorobut-3-en-2-one
CAS Number:
1909358-94-6
Molecular Formula:
C8H13ClO2
Molecular Weight:
176.6406
MDL Number:
MFCD29762758
IUPAC Name:
1-chloro-4-[(2-methylpropan-2-yl)oxy]but-3-en-2-one
InChI:
InChI=1S/C8H13ClO2/c1-8(2,3)11-5-4-7(10)6-9/h4-5H,6H2,1-3H3
InChI Key:
BUQRBLKEUHEOFC-UHFFFAOYSA-N
SMILES:
ClCC(=O)C=COC(C)(C)C
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.06g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.64g/mol
Monoisotopic Mass:
176.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.8  
Properties