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52107-96-7 | 2-iodo-5-Methylbenzoyl chloride
CAS No: 52107-96-7 Catalog No: AG00DBCP MDL No:
Product Description
Catalog Number:
AG00DBCP
Chemical Name:
2-iodo-5-Methylbenzoyl chloride
CAS Number:
52107-96-7
IUPAC Name:
2-iodo-5-methylbenzoyl chloride
InChI:
InChI=1S/C8H6ClIO/c1-5-2-3-7(10)6(4-5)8(9)11/h2-4H,1H3
InChI Key:
OXNKNUPGTNVGHT-UHFFFAOYSA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.915g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.489g/mol
Monoisotopic Mass:
279.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 2-Methyl-12H-benzimidazo[2,1-b][1,3]benzothia-zin-12-one. | Acta crystallographica. Section E, Structure reports online 20111201 |
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