2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid
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2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid
structure -
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CAS No:
123342-93-8
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Formula:
C13H11ClN2O4S
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Chemical Name:
2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid
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Synonyms:
2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid;Pyrithiobac;Pyrithiobac [iso]
- Categories:
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CAS No:
2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid Basic Attributes
326.76
326.01300
3327Q8RB9O
DTXSID3037703
Characteristics
107
2.99660
1.51
148-151 ºC
546.4±60.0 °C(Predicted)
284.3ºC
1.651
8.97E-13mmHg at 25°C
Safety Information
UN 3077 9 / PGIII
3
50/53
60-61
N
P273-P501
H410
|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 127 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:326.76
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:326.0128057
Monoisotopic Mass:326.0128057
Topological Polar Surface Area:107
Heavy Atom Count:21
Complexity:351
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid
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