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90414-61-2 | 5-Iodo-2-methyl-1,3-benzothiazole
CAS No: 90414-61-2 Catalog No: AG00GV05 MDL No:MFCD00643249
Product Description
Catalog Number:
AG00GV05
Chemical Name:
5-Iodo-2-methyl-1,3-benzothiazole
CAS Number:
90414-61-2
Molecular Formula:
C8H6INS
Molecular Weight:
275.1094
MDL Number:
MFCD00643249
IUPAC Name:
5-iodo-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6INS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChI Key:
UUODOEGHZZBDBL-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)nc(s2)C
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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