3-(1,1,2,3,3,3-HEXAFLUOROPROPYL)ADAMANTANE-1-CARBOXYLIC ACID
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3-(1,1,2,3,3,3-HEXAFLUOROPROPYL)ADAMANTANE-1-CARBOXYLIC ACID
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CAS No:
86301-98-6
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Formula:
C14H16F6O2
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Chemical Name:
3-(1,1,2,3,3,3-HEXAFLUOROPROPYL)ADAMANTANE-1-CARBOXYLIC ACID
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Synonyms:
HMS561K05;
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CAS No:
3-(1,1,2,3,3,3-HEXAFLUOROPROPYL)ADAMANTANE-1-CARBOXYLIC ACID Basic Attributes
330.26600
330.10544872
DTXSID90369597
Safety Information
R36/37/38
S26-S37/39
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:330.27
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:330.10544872
Monoisotopic Mass:330.10544872
Topological Polar Surface Area:37.3
Heavy Atom Count:22
Complexity:486
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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