Home Halogens Butanoic acid, 2-chloro-3-oxo-, 1,1-dimethylethyl ester

Butanoic acid, 2-chloro-3-oxo-, 1,1-dimethylethyl ester

CAS No.:
7304-72-5
Catalog Number:
AG005CJB
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
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Product Description
Catalog Number:
AG005CJB
Chemical Name:
Butanoic acid, 2-chloro-3-oxo-, 1,1-dimethylethyl ester
CAS Number:
7304-72-5
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
MDL Number:
MFCD20622133
IUPAC Name:
tert-butyl 2-chloro-3-oxobutanoate
InChI:
InChI=1S/C8H13ClO3/c1-5(10)6(9)7(11)12-8(2,3)4/h6H,1-4H3
InChI Key:
ZTHHPFWQCBJKDK-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)OC(C)(C)C)Cl
Properties
Complexity:
193  
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:
1.7  
Properties