(5-Bromo-1H-indol-3-yl)acetic acid
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(5-Bromo-1H-indol-3-yl)acetic acid
structure -
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CAS No:
40432-84-6
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Formula:
C10H8BrNO2
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Chemical Name:
(5-Bromo-1H-indol-3-yl)acetic acid
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Synonyms:
1H-Indole-3-acetic acid,5-bromo-;5-Bromo-1H-indole-3-acetic acid;5-Bromo-IAA;5-Bromo-3-indoleacetic acid;2-(5-Bromo-1H-indol-3-yl)acetic acid;NSC 88145;(5-Bromo-1H-indol-3-yl)acetic acid;(5-Bromoindol-3-yl)acetic acid
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CAS No:
(5-Bromo-1H-indol-3-yl)acetic acid Basic Attributes
254.08
254.08
254-917-8
JC6F5DNA2X
88145
DTXSID90193455
2933990090
Characteristics
53.1
2.1
Off-white to beige crystalline powder
1.7±0.1 g/cm3
143-145 °C(lit.)
465.9°C at 760 mmHg
235.6±24.6 °C
1.718
Refrigerator (+4ºC)
Safety Information
NONH for all modes of transport
3
20/21/22-36/37/38
S24/25
Xn
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:254.08
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:252.97384
Monoisotopic Mass:252.97384
Topological Polar Surface Area:53.1
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(5-Bromo-1H-indol-3-yl)acetic acid
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