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α-Fluorobenzenepropanoic acid

α-Fluorobenzenepropanoic acid structure

α-Fluorobenzenepropanoic acid 

structure
  • CAS No:

    457-45-4

  • Formula:

    C9H9FO2

  • Chemical Name:

    α-Fluorobenzenepropanoic acid

  • Synonyms:

    Benzenepropanoic acid,α-fluoro-;Hydrocinnamic acid,α-fluoro-;α-Fluorobenzenepropanoic acid;2-Fluoro-3-phenylpropanoic acid;NSC 84357;81471-71-8

α-Fluorobenzenepropanoic acid Basic Attributes

168.16500

168.16

84357

Characteristics

37.30000

1.65180

1.207g/cm3

73.2 °C

279.1ºC at 760 mmHg

122.6ºC

1.517

0.00196mmHg at 25°C

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:168.16
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.05865769
Monoisotopic Mass:168.05865769
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:153
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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