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Home > Encyclopedia > Benzoic acid, 3-chloro-, 1,1-diMethylethyl ester

Benzoic acid, 3-chloro-, 1,1-diMethylethyl ester

Benzoic acid, 3-chloro-, 1,1-diMethylethyl ester structure

Benzoic acid, 3-chloro-, 1,1-diMethylethyl ester 

structure
  • CAS No:

    16537-17-0

  • Formula:

    C11H13ClO2

  • Chemical Name:

    Benzoic acid, 3-chloro-, 1,1-diMethylethyl ester

  • Synonyms:

    Tert-butyl 3-chlorobenzoate;Benzoic acid, 3-chloro-, 1,1-dimethylethyl ester;3-Chlorobenzoic acid tert-butyl ester;CTK0E5746;DTXSID90474413;ZINC36477317;AKOS013210647

Benzoic acid, 3-chloro-, 1,1-diMethylethyl ester Basic Attributes

212.67272

212.06

DTXSID90474413

Characteristics

26.3

3.8

1.126±0.06 g/cm3(Predicted)

46 °C

271.4±13.0 °C(Predicted)

Computed Properties

Molecular Weight:212.67
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:212.0604073
Monoisotopic Mass:212.0604073
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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