4-(1H-IMIDAZOL-1-YL)BENZOICACID
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4-(1H-IMIDAZOL-1-YL)BENZOICACID
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CAS No:
17616-04-5
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Formula:
C10H8N2O2
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Chemical Name:
4-(1H-IMIDAZOL-1-YL)BENZOICACID
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Synonyms:
BUTTPARK 98\50-48;4-(1H-IMIDAZOL-1-YL)BENZOIC ACID;4-(IMIDAZOL-1-YL)-BENZOIC ACID;RARECHEM AL BO 1657;4-(Imidazol-1-yl)benzoic acid, HPLC 97%;4-(IMidazole-1-yl) benzoic acid;4-(1-IMidazolyl)benzoic Acid;1-(4-Carboxyphenyl)-1H-imidazole
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CAS No:
4-(1H-IMIDAZOL-1-YL)BENZOICACID Basic Attributes
188.18
188.058577502 g/mol
DTXSID90353057
2933290090
Characteristics
55.12000
1.57050
1.28±0.1 g/cm3
305 °C (dec.)(lit.)
403.6±28.0 °C(Predicted)
197.9ºC
3.65±0.10
Safety Information
3
36/37/38
26-36-37/39-36/37/39-22
Xi
|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|Aggregated GHS information provided by 197 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:188.18
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:188.058577502
Monoisotopic Mass:188.058577502
Topological Polar Surface Area:55.1
Heavy Atom Count:14
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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