Home Other Building Blocks 3-Acetoxy-2,2-dimethylbutyryl chloride

3-Acetoxy-2,2-dimethylbutyryl chloride

CAS No.:
859082-28-3
Catalog Number:
AG008G6H
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
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Product Description
Catalog Number:
AG008G6H
Chemical Name:
3-Acetoxy-2,2-dimethylbutyryl chloride
CAS Number:
859082-28-3
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
MDL Number:
MFCD12756105
IUPAC Name:
(4-chloro-3,3-dimethyl-4-oxobutan-2-yl) acetate
InChI:
InChI=1S/C8H13ClO3/c1-5(12-6(2)10)8(3,4)7(9)11/h5H,1-4H3
InChI Key:
XLBCEDVQTOFYCL-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C(C(=O)Cl)(C)C)C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.639g/mol
Monoisotopic Mass:
192.055g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties