Home Halogens tert-Butyl-4-chloro-3-oxobutanoate

tert-Butyl-4-chloro-3-oxobutanoate

CAS No.:
74530-56-6
Catalog Number:
AG0036IU
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0036IU
Chemical Name:
tert-Butyl-4-chloro-3-oxobutanoate
CAS Number:
74530-56-6
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
MDL Number:
MFCD00052188
IUPAC Name:
tert-butyl 4-chloro-3-oxobutanoate
InChI:
InChI=1S/C8H13ClO3/c1-8(2,3)12-7(11)4-6(10)5-9/h4-5H2,1-3H3
InChI Key:
DVOUIKQENBFPRS-UHFFFAOYSA-N
SMILES:
ClCC(=O)CC(=O)OC(C)(C)C
EC Number:
277-910-1
Properties
Complexity:
181  
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:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties