4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
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4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
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CAS No:
26165-62-8
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Formula:
C13H12ClNO2
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Chemical Name:
4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
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Synonyms:
4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid;UKRORGSYN-BB BBR-021785;4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid(SALTDATA: FREE)
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CAS No:
4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid Basic Attributes
249.694
249.05600
DTXSID30180788
2933990090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:249.69
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:249.0556563
Monoisotopic Mass:249.0556563
Topological Polar Surface Area:42.2
Heavy Atom Count:17
Complexity:287
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
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