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544705-44-4 | Benzothiazole, 2-oxiranyl- (9CI)
CAS No: 544705-44-4 Catalog No: AG00DHFT MDL No:
Product Description
Catalog Number:
AG00DHFT
Chemical Name:
Benzothiazole, 2-oxiranyl- (9CI)
CAS Number:
544705-44-4
IUPAC Name:
2-(oxiran-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C9H7NOS/c1-2-4-8-6(3-1)10-9(12-8)7-5-11-7/h1-4,7H,5H2
InChI Key:
FKYYUYYYBBNMCJ-UHFFFAOYSA-N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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