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1-Methylethyl 4-chloro-3-oxobutanoate

1-Methylethyl 4-chloro-3-oxobutanoate structure

1-Methylethyl 4-chloro-3-oxobutanoate 

structure
  • CAS No:

    41051-20-1

  • Formula:

    C7H11ClO3

  • Chemical Name:

    1-Methylethyl 4-chloro-3-oxobutanoate

  • Synonyms:

    Butanoic acid,4-chloro-3-oxo-,1-methylethyl ester;1-Methylethyl 4-chloro-3-oxobutanoate;Isopropyl γ-chloroacetoacetate;Isopropyl 4-chloroacetoacetate;Isopropyl 4-chloro-3-oxobutanoate;4-Chloroacetoacetic acid isopropyl ester;4-Chloro-3-oxobutyric acid isopropyl ester

1-Methylethyl 4-chloro-3-oxobutanoate Basic Attributes

178.61300

178.61

DTXSID6068274

Characteristics

43.37000

1.13600

1.141g/cm3

217.3ºC

84.8ºC

Safety Information

R36/38

S26-S36/37/39

Xn

1-Methylethyl 4-chloro-3-oxobutanoate Use and Manufacturing

Butanoic acid, 4-chloro-3-oxo-, 1-methylethyl ester: INACTIVE

Computed Properties

Molecular Weight:178.61
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:178.0396719
Monoisotopic Mass:178.0396719
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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