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156272-78-5 | 2-(1,3-Benzothiazol-2-ylmethyl)-2H-1,2,3-benzotriazole
CAS No: 156272-78-5 Catalog No: AG01F827 MDL No:
Product Description
Catalog Number:
AG01F827
Chemical Name:
2-(1,3-Benzothiazol-2-ylmethyl)-2H-1,2,3-benzotriazole
CAS Number:
156272-78-5
Molecular Formula:
C14H10N4S
Molecular Weight:
266.3210
IUPAC Name:
2-(benzotriazol-2-ylmethyl)-1,3-benzothiazole
InChI:
InChI=1S/C14H10N4S/c1-2-6-11-10(5-1)16-18(17-11)9-14-15-12-7-3-4-8-13(12)19-14/h1-8H,9H2
InChI Key:
JYDGIMZTCRXYRA-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(s2)Cn1nc2c(n1)cccc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.322g/mol
Monoisotopic Mass:
266.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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