3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid
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![3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/17dac9b9ae96424a98fca8863a5b25bb.png "3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid")
3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid
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CAS No:
1841-58-3
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Formula:
C13H9FO2
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Chemical Name:
3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid
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Synonyms:
[1,1′-Biphenyl]-4-carboxylic acid,3′-fluoro-;4-Biphenylcarboxylic acid,3′-fluoro-;3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid;3′-Fluorobiphenyl-4-carboxylic acid
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CAS No:
3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid Basic Attributes
216.20800
216.21
DTXSID40382216
2916399090
Characteristics
37.30000
3.19090
1.42 g/cm3
241-243ºC
373.5ºC at 760 mmHg
179.7ºC
3.07E-06mmHg at 25°C
Safety Information
R36/37/38
S26; S36/37/39
Xi
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:216.21
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:216.05865769
Monoisotopic Mass:216.05865769
Topological Polar Surface Area:37.3
Heavy Atom Count:16
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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