3-Formyl-1H-indole-5-carbonitrile
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3-Formyl-1H-indole-5-carbonitrile
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CAS No:
17380-18-6
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Formula:
C10H6N2O
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Chemical Name:
3-Formyl-1H-indole-5-carbonitrile
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Synonyms:
1H-Indole-5-carbonitrile,3-formyl-;Indole-5-carbonitrile,3-formyl-;3-Formyl-1H-indole-5-carbonitrile;3-Formyl-5-cyano-1H-indole;5-Cyanoindole-3-carboxaldehyde
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CAS No:
Characteristics
56.65000
1.85208
white to off-white crystalline powder
11.33 g/cm3
256-258 °C
429.6ºC at 760 mmHg
213.6ºC
1.674
1.39E-07mmHg at 25°C
Safety Information
R20/21/22
S26; S36/37
Xn; Xi
P261; P280; P305 + P351 + P338
H302; H312; H315; H317; H319; H332; H335
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:170.17
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.048012819
Monoisotopic Mass:170.048012819
Topological Polar Surface Area:56.6
Heavy Atom Count:13
Complexity:255
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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