3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
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![3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/69650fe5d2ff4f72ad9cbd9331373b63.png "3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid")
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
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CAS No:
34576-92-6
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Formula:
C9H4ClFO2S
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Chemical Name:
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
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Synonyms:
Benzo[b]thiophene-2-carboxylic acid,3-chloro-6-fluoro-;3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid;3-Chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
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CAS No:
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid Basic Attributes
230.646
230.64
DTXSID10353736
2934999090
Characteristics
65.5
3.39200
1.627±0.06 g/cm3(Predicted)
293-297 °C(lit.)
398.2ºC at 760mmHg
194.6ºC
Safety Information
IRRITANT
NONH for all modes of transport
3
22-24/25
P305 + P351 + P338
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:230.64
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:229.9604564
Monoisotopic Mass:229.9604564
Topological Polar Surface Area:65.5
Heavy Atom Count:14
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
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