Home Nitro Compounds 6526-72-3
6526-72-3,MFCD00039739
Catalog No.:AA003HPS
6526-72-3 | 2-Nitrocumene
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1g
95%
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$43.00   $30.00
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5g
95%
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$115.00   $80.00
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25g
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$334.00   $234.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HPS
Chemical Name:
2-Nitrocumene
CAS Number:
6526-72-3
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00039739
IUPAC Name:
1-nitro-2-propan-2-ylbenzene
InChI:
InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3
InChI Key:
BSMKYQUHXQAVKG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C(C)C
EC Number:
229-415-7
Properties
Computed Properties
 
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
2-Nitrocumene 
1-Isopropyl-2-nitrobenzene 
Cumene, o-nitro- 
EINECS 229-415-7 
o-Isopropylnitrobenzene 
o-Nitroisopropylbenzene 
AC1L30FJ 
ACMC-1B8O4 
SCHEMBL254406 
CTK5C2455 
DTXSID80215574 
BSMKYQUHXQAVKG-UHFFFAOYSA-N 
6526-72-3 
AC1Q2037 
ZINC5447559 
9993AB 
ANW-35022 
MFCD00039739 
AKOS015890279 
Benzene,1-(1-methylethyl)-2-nitro- 
FCH1118862 
VZ25092 
Benzene, 1-(1-methylethyl)-2-nitro- 
o-Nitrocumene 
KS-0000169T 
AJ-54123 
CC-11674 
AX8011290 
DB-054787 
TC-123767 
CS-0063158 
FT-0636172 
N0532 
ST24027101 
Nitrocumene; 95% 
C-04612 
F0001-1754 
C9H11NO2 
C9-H11-N-O2 
CID81013 
AR-1E4380 
6780-38-7 
1-nitro-2-propan-2-ylbenzene 
2-Isopropylnitrobenzene 
2-Nitroisopropylbenzene 
2-Nitro-isopropylbenzene 
nitrocumene 
Literature

Title: The donor-acceptor biphenyl platform: a versatile chromophore for the engineering of highly efficient two-photon sensitive photoremovable protecting groups.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20120301

Title: Water-soluble, donor-acceptor biphenyl derivatives in the 2-(o-nitrophenyl)propyl series: highly efficient two-photon uncaging of the neurotransmitter γ-aminobutyric acid at λ = 800 nm.

Journal: Angewandte Chemie (International ed. in English) 20120220

Title: Coumarin-caged dG for improved wavelength-selective uncaging of DNA.

Journal: Organic letters 20110902

Title: Development of anionically decorated 2-(ortho-nitrophenyl)-propyl-caged neurotransmitters for photolysis in vitro and in vivo.

Journal: Chembiochem : a European journal of chemical biology 20110110

Title: Structure-activity relationships of a caged thrombin binding DNA aptamer: insight gained from molecular dynamics simulation studies.

Journal: Journal of structural biology 20090601

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