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330436-78-7 | Benzothiazole, 2-(1-hexynyl)- (9CI)
CAS No: 330436-78-7 Catalog No: AG00CPL1 MDL No:
Product Description
Catalog Number:
AG00CPL1
Chemical Name:
Benzothiazole, 2-(1-hexynyl)- (9CI)
CAS Number:
330436-78-7
IUPAC Name:
2-hex-1-ynyl-1,3-benzothiazole
InChI:
InChI=1S/C13H13NS/c1-2-3-4-5-10-13-14-11-8-6-7-9-12(11)15-13/h6-9H,2-4H2,1H3
InChI Key:
QMDHTEJOAXWJTG-UHFFFAOYSA-N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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