3-Bromo-1-adamantanecarboxylic acid
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3-Bromo-1-adamantanecarboxylic acid
structure -
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CAS No:
21816-08-0
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Formula:
C11H15BrO2
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Chemical Name:
3-Bromo-1-adamantanecarboxylic acid
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Synonyms:
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid,3-bromo-;1-Adamantanecarboxylic acid,3-bromo-;3-Bromotricyclo[3.3.1.13,7]decane-1-carboxylic acid;1-Bromo-3-carboxyadamantane;1-Bromoadamantane-3-carboxylic acid;3-Bromo-1-adamantanecarboxylic acid;3-Bromo-1-carboxyadamantane;3-Bromoadamantan-1-carboxylic acid;53263-86-8
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CAS No:
Characteristics
37.3
2.61
1.7±0.1 g/cm3
146.5 °C @ Solvent: Cyclohexane
354.2±25.0 °C at 760 mmHg
168.0±23.2 °C
1.638
2-8°C
5.69E-06mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36/37/39-37/39
AU4452500
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:259.14
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:258.02554
Monoisotopic Mass:258.02554
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:286
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Bromo-1-adamantanecarboxylic acid
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