3-Bromo-1-adamantaneacetic acid
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3-Bromo-1-adamantaneacetic acid
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CAS No:
17768-34-2
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Formula:
C12H17BrO2
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Chemical Name:
3-Bromo-1-adamantaneacetic acid
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Synonyms:
3-BroMoadaMantane-1-acetic acid;2-(3-Bromoadamantan-1-yl)acetic acid;3-Bromo-1-adamantaneacetic acid;(3-Bromo-1-adamantyl)aceticacid,3-Bromotricyclo[3.3.1.13,7]decane-1-aceticacid;3-Bromoadamantane-1-aceticacid;3-Bromotricyclo[3.3.1.13,7]decane-1-acetic acid;HFGLWCBEPPFDDJ-VSKBNFNDSA-N
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CAS No:
Safety Information
NONH for all modes of transport
3
36
26
Xi
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 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:273.17
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:272.04119
Monoisotopic Mass:272.04119
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:299
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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