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Chemical Product CAS:21758-94-1(2-acetyl-4-chlorophenoxy)acetic acid

(2-acetyl-4-chlorophenoxy)acetic acid

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    (2-acetyl-4-chlorophenoxy)acetic acid
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(2-acetyl-4-chlorophenoxy)acetic acid ( CASNO:21758-94-1 )

Identification and Related Records
(2-acetyl-4-chlorophenoxy)acetic acid
CAS Registry number:
Iupac name:
2-(2-acetyl-4-chlorophenoxy)acetic acid
2-(2-acetyl-4-chlorophenoxy)acetic acid
Molecular Formula:
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Boiling Point:
396.2°C at 760 mmHg
5.47E-07mmHg at 25°C
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:228.62906 [g/mol]
Molecular Formula:C10H9ClO4
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:228.018936
MonoIsotopic Mass:228.018936
Topological Polar Surface Area:63.6
Heavy Atom Count:15
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:62
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