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302799-71-9 | 5-IODO-1H-BENZOTRIAZOLE
CAS No: 302799-71-9 Catalog No: AG00BEYW MDL No:
Product Description
Catalog Number:
AG00BEYW
Chemical Name:
5-IODO-1H-BENZOTRIAZOLE
CAS Number:
302799-71-9
IUPAC Name:
5-iodo-2H-benzotriazole
InChI:
InChI=1S/C6H4IN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
InChI Key:
RYZPERQXTLCUPP-UHFFFAOYSA-N
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.945g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.023g/mol
Monoisotopic Mass:
244.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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