3-(1,3-BENZOTHIAZOL-2-YL)PHENOL
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3-(1,3-BENZOTHIAZOL-2-YL)PHENOL
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CAS No:
25389-28-0
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Formula:
C13H9NOS
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Chemical Name:
3-(1,3-BENZOTHIAZOL-2-YL)PHENOL
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Synonyms:
3-(1,3-benzothiazol-2-yl)phenol;MLS000063319;Phenol,3-(2-benzothiazolyl)-;SMR000074978;C13H9NOS;NSC51369;3-(Benzothiazole-2-yl)phenol;CHEMBL149322;cid_242605;SCHEMBL2248827
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CAS No:
3-(1,3-BENZOTHIAZOL-2-YL)PHENOL Basic Attributes
227.28166
227.04000
51369
DTXSID70287508
2934999090
Characteristics
61.4
3.66890
1.337 g/cm3
165 °C
431.2ºC at 760 mmHg
214.6ºC
1.718
4.83E-08mmHg at 25°C
Computed Properties
Molecular Weight:227.28
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:227.04048508
Monoisotopic Mass:227.04048508
Topological Polar Surface Area:61.4
Heavy Atom Count:16
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes