4-Fluoromandelic acid
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4-Fluoromandelic acid
structure -
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CAS No:
395-33-5
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Formula:
C8H7FO3
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Chemical Name:
4-Fluoromandelic acid
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Synonyms:
Benzeneacetic acid,4-fluoro-α-hydroxy-;Mandelic acid,p-fluoro-;4-Fluoro-α-hydroxybenzeneacetic acid;p-Fluoromandelic acid;4-Fluoromandelic acid;2-Hydroxy-2-(4-fluorophenyl)acetic acid;(±)-p-Fluoromandelic acid;(±)-4′-Fluoromandelic acid;2-(4-Fluorophenyl)-2-hydroxyacetic acid;NSC 73990;DL-4-Fluoromandelic acid;(4-Fluorophenyl)hydroxyacetic acid;52950-15-9
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CAS No:
Characteristics
57.5
0.7
white crystalline powder
1.4±0.1 g/cm3
135 °C
322.4°C at 760 mmHg
148.8±23.7 °C
1.565
Safety Information
R36/37/38
S26-S36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Computed Properties
Molecular Weight:170.14
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:170.03792224
Monoisotopic Mass:170.03792224
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:164
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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