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56421-77-3 | Benzothiazole, 2-(3-thienyl)- (9CI)
CAS No: 56421-77-3 Catalog No: AG00EI2T MDL No:
Product Description
Catalog Number:
AG00EI2T
Chemical Name:
Benzothiazole, 2-(3-thienyl)- (9CI)
CAS Number:
56421-77-3
IUPAC Name:
2-thiophen-3-yl-1,3-benzothiazole
InChI:
InChI=1S/C11H7NS2/c1-2-4-10-9(3-1)12-11(14-10)8-5-6-13-7-8/h1-7H
InChI Key:
WJHVDQBJNAXATN-UHFFFAOYSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.304g/mol
Monoisotopic Mass:
217.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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