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1174534-50-9 | 5-iodo-1,2-benzothiazole
CAS No: 1174534-50-9 Catalog No: AG01AV33 MDL No:MFCD27980729
Product Description
Catalog Number:
AG01AV33
Chemical Name:
5-iodo-1,2-benzothiazole
CAS Number:
1174534-50-9
Molecular Formula:
C7H4INS
Molecular Weight:
261.0828
MDL Number:
MFCD27980729
IUPAC Name:
5-iodo-1,2-benzothiazole
InChI:
InChI=1S/C7H4INS/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H
InChI Key:
XIHBDNSAOPGJRF-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)cns2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.911g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.08g/mol
Monoisotopic Mass:
260.911g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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