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100708-34-7

100708-34-7 | Benzene, 1-(3-iodopropyl)-4-nitro-

CAS No: 100708-34-7 Catalog No: AG0002OV MDL No:

Product Description

Catalog Number:
AG0002OV
Chemical Name:
Benzene, 1-(3-iodopropyl)-4-nitro-
CAS Number:
100708-34-7
Molecular Formula:
C9H10INO2
Molecular Weight:
291.0857
IUPAC Name:
1-(3-iodopropyl)-4-nitrobenzene
InChI:
InChI=1S/C9H10INO2/c10-7-1-2-8-3-5-9(6-4-8)11(12)13/h3-6H,1-2,7H2
InChI Key:
KYIJVKCAHAAZMU-UHFFFAOYSA-N
SMILES:
ICCCc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.976g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.088g/mol
Monoisotopic Mass:
290.976g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

Literature

Title Journal
Synthesis of tetrahydronaphthalene lignan esters by intramolecular cyclization of ethyl p-azidophenyl-2-phenylalkanoates and evaluation of the growth inhibition of human tumor cell lines. Journal of medicinal chemistry 20110512
Photochemical synthesis of aldehydes in the solid phase. The Journal of organic chemistry 20020419

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