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633301-56-1 | Benzothiazole, 3-ethenyl-2,3-dihydro- (9CI)
CAS No: 633301-56-1 Catalog No: AG00EOQA MDL No:
Product Description
Catalog Number:
AG00EOQA
Chemical Name:
Benzothiazole, 3-ethenyl-2,3-dihydro- (9CI)
CAS Number:
633301-56-1
IUPAC Name:
3-ethenyl-2H-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS/c1-2-10-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2
InChI Key:
DCMJWQZHGVOBOT-UHFFFAOYSA-N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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