CAS 35779-04-5 | 1-(tert-Butyl)-4-iodobenzene | CAS Number 35779-04-5

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35779-04-5 | 1-(tert-Butyl)-4-iodobenzene

CAS No: 35779-04-5 Catalog No: AG003M24 MDL No:MFCD00052339

Product Description

Catalog Number:

AG003M24

Chemical Name:

1-(tert-Butyl)-4-iodobenzene

CAS Number:

35779-04-5

Molecular Formula:

C10H13I

Molecular Weight:

260.1147

MDL Number:

MFCD00052339

IUPAC Name:

1-tert-butyl-4-iodobenzene

InChI:

InChI=1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

InChI Key:

WQVIVQDHNKQWTM-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)I)(C)C

Properties

Complexity:

115

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.006g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.118g/mol

Monoisotopic Mass:

260.006g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1

Literature

Title	Journal
An incommensurate thiourea inclusion compound.	Chemical communications (Cambridge, England) 20110407
Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility.	Nature chemical biology 20080601