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1261740-11-7 | Benzothiazole, 4-iodo-2-methyl-
CAS No: 1261740-11-7 Catalog No: AG000RYV MDL No:MFCD18417227
Product Description
Catalog Number:
AG000RYV
Chemical Name:
Benzothiazole, 4-iodo-2-methyl-
CAS Number:
1261740-11-7
Molecular Formula:
C8H6INS
Molecular Weight:
275.1094
MDL Number:
MFCD18417227
IUPAC Name:
4-iodo-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6INS/c1-5-10-8-6(9)3-2-4-7(8)11-5/h2-4H,1H3
InChI Key:
RTHZZMLIIOOAGK-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)c(I)ccc2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.927g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.107g/mol
Monoisotopic Mass:
274.927g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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