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109948-61-0 | Benzothiazole, 2-(1,2-propadienyl)- (9CI)
CAS No: 109948-61-0 Catalog No: AG008YTC MDL No:
Product Description
Catalog Number:
AG008YTC
Chemical Name:
Benzothiazole, 2-(1,2-propadienyl)- (9CI)
CAS Number:
109948-61-0
IUPAC Name:
2-propa-1,2-dienyl-1,3-benzothiazole
InChI:
InChI=1S/C10H7NS/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-7H,1H2
InChI Key:
FCIUVFATJSRWOI-UHFFFAOYSA-N
Properties
Complexity:
208
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.233g/mol
Monoisotopic Mass:
173.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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