4-[chloro(difluoro)methoxy]benzoic acid
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![4-[chloro(difluoro)methoxy]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/270d920c219f4e99be75688538ebf648.png "4-[chloro(difluoro)methoxy]benzoic acid")
4-[chloro(difluoro)methoxy]benzoic acid
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CAS No:
147992-34-5
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Formula:
C8H5ClF2O3
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Chemical Name:
4-[chloro(difluoro)methoxy]benzoic acid
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CAS No:
4-[chloro(difluoro)methoxy]benzoic acid Basic Attributes
222.57300
221.9895280 g/mol
DTXSID80366292
2918990090
Characteristics
46.53000
2.55270
1.5g/cm3
143ºC
277.3ºC at 760 mmHg
121.5ºC
1.518
0.0022mmHg at 25°C
Safety Information
R36/37/38
S26; S36/37/39
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:222.57
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:221.9895280
Monoisotopic Mass:221.9895280
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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