5-(Chloromethyl)-4-isoxazolecarboxylic acid
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5-(Chloromethyl)-4-isoxazolecarboxylic acid
structure -
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CAS No:
870704-27-1
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Formula:
C5H4ClNO3
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Chemical Name:
5-(Chloromethyl)-4-isoxazolecarboxylic acid
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Synonyms:
4-Isoxazolecarboxylic acid,5-(chloromethyl)-;5-(Chloromethyl)-4-isoxazolecarboxylic acid;5-(Chloromethyl)isoxazole-4-carboxylic acid
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CAS No:
5-(Chloromethyl)-4-isoxazolecarboxylic acid Basic Attributes
161.544
161.54
DTXSID00584572
2934999090
Safety Information
NONH for all modes of transport
3
36/37/38-42/43
26-36-45
Xn
P261-P280-P305 + P351 + P338-P342 + P311
H315-H317-H319-H334-H335
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:161.54
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:160.9879707
Monoisotopic Mass:160.9879707
Topological Polar Surface Area:63.3
Heavy Atom Count:10
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(Chloromethyl)-4-isoxazolecarboxylic acid
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