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229643-15-6

229643-15-6 | Benzothiazole, 2-(iodomethyl)-

CAS No: 229643-15-6 Catalog No: AG002LPZ MDL No:MFCD06410696

Product Description

Catalog Number:
AG002LPZ
Chemical Name:
Benzothiazole, 2-(iodomethyl)-
CAS Number:
229643-15-6
Molecular Formula:
C8H6INS
Molecular Weight:
275.1094
MDL Number:
MFCD06410696
IUPAC Name:
2-(iodomethyl)-1,3-benzothiazole
InChI:
InChI=1S/C8H6INS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
InChI Key:
JXBONNIKLRSNGF-UHFFFAOYSA-N
SMILES:
ICc1nc2c(s1)cccc2

Properties

Complexity:
142  
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:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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