1-(4-BROMOPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
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![1-(4-BROMOPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7efc96ae6dd74a7797809b179b90851b.png "1-(4-BROMOPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID")
1-(4-BROMOPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
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CAS No:
618383-03-2
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Formula:
C18H13BrN2O4
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Chemical Name:
1-(4-BROMOPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
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Synonyms:
ZINC25781835;AKOS024412265;MCULE-9326685456;1-(4-BROMOPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID;1-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylic acid;1-(4-Bromophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazole-5-carboxylic acid
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CAS No:
1-(4-BROMOPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID Basic Attributes
401.21
400.00587
2934999090
Safety Information
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:401.2
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:400.00587
Monoisotopic Mass:400.00587
Topological Polar Surface Area:73.6
Heavy Atom Count:25
Complexity:486
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(4-BROMOPHENYL)-3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
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