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171628-32-3 | Benzothiazole, 2-(1E)-1-pentenyl- (9CI)
CAS No: 171628-32-3 Catalog No: AG00AV8O MDL No:
Product Description
Catalog Number:
AG00AV8O
Chemical Name:
Benzothiazole, 2-(1E)-1-pentenyl- (9CI)
CAS Number:
171628-32-3
IUPAC Name:
2-[(E)-pent-1-enyl]-1,3-benzothiazole
InChI:
InChI=1S/C12H13NS/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h4-9H,2-3H2,1H3/b9-4+
InChI Key:
HCXOYXBBLHDVOO-RUDMXATFSA-N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
203.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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