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1628-60-0 | Benzothiazole, 2-(1,3-pentadienyl)- (7CI,8CI)
CAS No: 1628-60-0 Catalog No: AG00AV9Y MDL No:
Product Description
Catalog Number:
AG00AV9Y
Chemical Name:
Benzothiazole, 2-(1,3-pentadienyl)- (7CI,8CI)
CAS Number:
1628-60-0
IUPAC Name:
2-[(1E,3Z)-penta-1,3-dienyl]-1,3-benzothiazole
InChI:
InChI=1S/C12H11NS/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h2-9H,1H3/b3-2-,9-4+
InChI Key:
BFWCCPXKLYHMMP-SEEXIRIMSA-N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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