3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
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![3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5668bc09e4474c728c89488094bda2a9.png "3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid")
3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
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CAS No:
175203-24-4
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Formula:
C13H13BrN2O2
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Chemical Name:
3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
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Synonyms:
Benzoic acid,3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-;3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid;3-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
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CAS No:
3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid Basic Attributes
309.16
309.16
DTXSID30353096
2933199090
Safety Information
IRRITANT
R36/37/38
S26-S37/39
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:309.16
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:308.01604
Monoisotopic Mass:308.01604
Topological Polar Surface Area:55.1
Heavy Atom Count:18
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
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