CAS 615-37-2 | 1-Iodo-2-methylbenzene | CAS Number 615-37-2

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615-37-2 | 1-Iodo-2-methylbenzene

CAS No: 615-37-2 Catalog No: AG003HH1 MDL No:MFCD00001042

Product Description

Catalog Number:

AG003HH1

Chemical Name:

1-Iodo-2-methylbenzene

CAS Number:

615-37-2

Molecular Formula:

C7H7I

Molecular Weight:

218.0350

MDL Number:

MFCD00001042

IUPAC Name:

1-iodo-2-methylbenzene

InChI:

InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChI Key:

RINOYHWVBUKAQE-UHFFFAOYSA-N

SMILES:

Cc1ccccc1I

EC Number:

210-422-9

UNII:

8OK4H85T07

NSC Number:

3774

Properties

Complexity:

70.8

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.959g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.037g/mol

Monoisotopic Mass:

217.959g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Mizoroki-heck-type reaction mediated by potassium tert-butoxide.	Angewandte Chemie (International ed. in English) 20110509
Spin-orbit ab initio investigation of photolysis of o-, m-, and p-iodotoluene.	The Journal of chemical physics 20100107
Structures, biological activities, and total syntheses of 13-hydroxy- and 13-acetoxy-14-nordehydrocacalohastine, novel modified furanoeremophilane-type sesquiterpenes from Trichilia cuneata.	Organic letters 20050428
Characterization of the electrophile binding site and substrate binding mode of the 26-kDa glutathione S-transferase from Schistosoma japonicum.	Proteins 20030401
Synthesis of seven-membered lactones via nickel- and zinc-catalyzed highly regio- and stereoselective cyclization of 2-iodobenzyl alcohols with propiolates.	Journal of the American Chemical Society 20020522