3-(3-Bromo-4-fluorophenyl)-2-propenoic acid
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3-(3-Bromo-4-fluorophenyl)-2-propenoic acid
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CAS No:
160434-49-1
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Formula:
C9H6BrFO2
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Chemical Name:
3-(3-Bromo-4-fluorophenyl)-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-(3-bromo-4-fluorophenyl)-;3-(3-Bromo-4-fluorophenyl)-2-propenoic acid;3-Bromo-4-fluorocinnamic acid
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CAS No:
3-(3-Bromo-4-fluorophenyl)-2-propenoic acid Basic Attributes
245.05
245.05
8977970
605-209-6
29163990
Characteristics
37.3
3.17
Light yellow solid.
1.6228 (rough estimate)
189-192 °C
337.4±32.0 °C(Predicted)
157.9±25.1 °C
1.4240 (estimate)
4.1E-05mmHg at 25°C
Safety Information
36/37/38
28A-26
Xi
Irritant
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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:245.04
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:243.95352
Monoisotopic Mass:243.95352
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:218
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(3-Bromo-4-fluorophenyl)-2-propenoic acid
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