2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,3-difluoroprop-2-enoic acid
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2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,3-difluoroprop-2-enoic acid
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CAS No:
870703-88-1
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Formula:
C12H11F2NO2
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Chemical Name:
2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,3-difluoroprop-2-enoic acid
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Synonyms:
3,3-Difluoro-2-(2-indolinylmethyl)acrylic acid;
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CAS No:
2-(2,3-dihydro-1H-indol-2-ylmethyl)-3,3-difluoroprop-2-enoic acid Basic Attributes
239.21800
239.07578492
DTXSID50584466
2933990090
Safety Information
UN 2811 6.1/PG 3
R22; R36/37/38
S26; S36
Xn
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, 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:239.22
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:239.07578492
Monoisotopic Mass:239.07578492
Topological Polar Surface Area:49.3
Heavy Atom Count:17
Complexity:339
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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