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77859-44-0 | 4-PHENOXY-2(3H)-BENZOTHIAZOLONE
CAS No: 77859-44-0 Catalog No: AG00GGYB MDL No:
Product Description
Catalog Number:
AG00GGYB
Chemical Name:
4-PHENOXY-2(3H)-BENZOTHIAZOLONE
CAS Number:
77859-44-0
IUPAC Name:
4-phenoxy-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C13H9NO2S/c15-13-14-12-10(7-4-8-11(12)17-13)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)
InChI Key:
FMGLTFUKDREILF-UHFFFAOYSA-N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.28g/mol
Monoisotopic Mass:
243.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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