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29947-31-7 | Benzothiazole, 2-(4-thiazolyl)- (7CI,8CI,9CI)
CAS No: 29947-31-7 Catalog No: AG00BLMX MDL No:
Product Description
Catalog Number:
AG00BLMX
Chemical Name:
Benzothiazole, 2-(4-thiazolyl)- (7CI,8CI,9CI)
CAS Number:
29947-31-7
IUPAC Name:
2-(1,3-thiazol-4-yl)-1,3-benzothiazole
InChI:
InChI=1S/C10H6N2S2/c1-2-4-9-7(3-1)12-10(14-9)8-5-13-6-11-8/h1-6H
InChI Key:
FMVXGLFPMQJUKT-UHFFFAOYSA-N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.292g/mol
Monoisotopic Mass:
217.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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