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187653-47-0 | Benzothiazole, 2-(1H-1,2,4-triazol-1-yl)- (9CI)
CAS No: 187653-47-0 Catalog No: AG00AV2O MDL No:
Product Description
Catalog Number:
AG00AV2O
Chemical Name:
Benzothiazole, 2-(1H-1,2,4-triazol-1-yl)- (9CI)
CAS Number:
187653-47-0
IUPAC Name:
2-(1,2,4-triazol-1-yl)-1,3-benzothiazole
InChI:
InChI=1S/C9H6N4S/c1-2-4-8-7(3-1)12-9(14-8)13-6-10-5-11-13/h1-6H
InChI Key:
OSNIAGVCSMXRIL-UHFFFAOYSA-N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.235g/mol
Monoisotopic Mass:
202.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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