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Home > Encyclopedia > 2-Bromo-phenylthioaceticacid

2-Bromo-phenylthioaceticacid

2-Bromo-phenylthioaceticacid structure

2-Bromo-phenylthioaceticacid 

structure
  • CAS No:

    15939-85-2

  • Formula:

    C8H7BrOS

  • Chemical Name:

    2-Bromo-phenylthioaceticacid

  • Synonyms:

    2-bromo-phenylthioacetic acid;2-Bromophenylthioacetic acid;2-[(2-Bromophenyl)sulfanyl]acetic acid;Enamine_002695;2-(2-bromophenyl)sulfanylacetic acid;Acetic acid, [(2-bromophenyl)thio]-;SCHEMBL1703413;2-(o-Bromophenylthio)acetic acid;[(2-bromophenyl)thio]acetic acid;HMS1401K11

2-Bromo-phenylthioaceticacid Basic Attributes

231.10958

245.935

Characteristics

62.6

2.7

1.70±0.1 g/cm3(Predicted)

116-117 °C

353.0±27.0 °C(Predicted)

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:247.11
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.93501
Monoisotopic Mass:245.93501
Topological Polar Surface Area:62.6
Heavy Atom Count:12
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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