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1628-62-2 | Benzothiazole, 2-(2-methyl-1-butenyl)- (7CI,9CI)
CAS No: 1628-62-2 Catalog No: AG00ALES MDL No:
Product Description
Catalog Number:
AG00ALES
Chemical Name:
Benzothiazole, 2-(2-methyl-1-butenyl)- (7CI,9CI)
CAS Number:
1628-62-2
IUPAC Name:
2-[(Z)-2-methylbut-1-enyl]-1,3-benzothiazole
InChI:
InChI=1S/C12H13NS/c1-3-9(2)8-12-13-10-6-4-5-7-11(10)14-12/h4-8H,3H2,1-2H3/b9-8-
InChI Key:
WOFVJHJLWGVTQD-HJWRWDBZSA-N
Properties
Complexity:
224
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:
4.7
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