2-Bromo-4-methoxybenzeneacetic acid
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2-Bromo-4-methoxybenzeneacetic acid
structure -
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CAS No:
66916-99-2
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Formula:
C9H9BrO3
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Chemical Name:
2-Bromo-4-methoxybenzeneacetic acid
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Synonyms:
Benzeneacetic acid,2-bromo-4-methoxy-;2-Bromo-4-methoxybenzeneacetic acid;2-Bromo-4-methoxyphenylacetic acid;2-(2-Bromo-4-methoxyphenyl)acetic acid
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CAS No:
Characteristics
46.53000
2.08480
1.560±0.06 g/cm3
127-131 °C (lit.)
353.6±27.0 °C(Predicted)
167.6ºC
1.572
4.20±0.10
Safety Information
Ⅲ
6.1
UN 2811 6.1/PG 3
2
22-50
60-61
Xn,N
|Danger|H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:245.07
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:243.97351
Monoisotopic Mass:243.97351
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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