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115755-10-7 | Benzothiazole, 2-(3-methyl-1-butenyl)-, (E)- (9CI)
CAS No: 115755-10-7 Catalog No: AG009KGP MDL No:
Product Description
Catalog Number:
AG009KGP
Chemical Name:
Benzothiazole, 2-(3-methyl-1-butenyl)-, (E)- (9CI)
CAS Number:
115755-10-7
IUPAC Name:
2-[(E)-3-methylbut-1-enyl]-1,3-benzothiazole
InChI:
InChI=1S/C12H13NS/c1-9(2)7-8-12-13-10-5-3-4-6-11(10)14-12/h3-9H,1-2H3/b8-7+
InChI Key:
ZEZVADBKZJSLJX-BQYQJAHWSA-N
Properties
Complexity:
212
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:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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