5-BROMO-4-CHLORO-3-INDOLYL BUTYRATE
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5-BROMO-4-CHLORO-3-INDOLYL BUTYRATE
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CAS No:
129541-43-1
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Formula:
C12H11BrClNO2
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Chemical Name:
5-BROMO-4-CHLORO-3-INDOLYL BUTYRATE
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Synonyms:
5-Bromo-4-chloro-3-indoxyl butyrate; (5-bromo-4-chloro-1H-indol-3-yl) butanoate; 5-Bromo-4-chloro-3-indolyl butyrate;
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CAS No:
5-BROMO-4-CHLORO-3-INDOLYL BUTYRATE Basic Attributes
316.57800
314.96617 g/mol
DTXSID00350895
2933990090
Characteristics
42.09000
4.28930
1.577g/cm3
91-93ºC
444.1ºC
222.4ºC
1.633
-20ºC
4.41E-08mmHg at 25°C
Safety Information
S24/25
Xn
P280; P305 + P351 + P338
H302; H318
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, 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:316.58
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:314.96617
Monoisotopic Mass:314.96617
Topological Polar Surface Area:42.1
Heavy Atom Count:17
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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