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99-12-7,MFCD00007269
Catalog No.:AA00IMCR

99-12-7 | Benzene, 1,3-dimethyl-5-nitro-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
>98.0%(GC)
in stock  
$47.00   $33.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IMCR
Chemical Name:
Benzene, 1,3-dimethyl-5-nitro-
CAS Number:
99-12-7
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00007269
SMILES:
Cc1cc(cc(c1)C)[N+](=O)[O-]
NSC Number:
5403
UN Number:
1665
Properties
Computed Properties
 
Complexity:
143  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Literature

Title: Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091015

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SDS
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Tags:99-12-7 Molecular Formula|99-12-7 MDL|99-12-7 SMILES|99-12-7 Benzene, 1,3-dimethyl-5-nitro-
Catalog No.: AA00IMCR
99-12-7,MFCD00007269
99-12-7 | Benzene, 1,3-dimethyl-5-nitro-
Pack Size： 5g
Purity： >98.0%(GC)
in stock
$47.00 $33.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IMCR
Chemical Name: Benzene, 1,3-dimethyl-5-nitro-
CAS Number: 99-12-7
Molecular Formula: C8H9NO2
Molecular Weight: 151.1626
MDL Number: MFCD00007269
SMILES: Cc1cc(cc(c1)C)[N+](=O)[O-]
NSC Number: 5403
UN Number: 1665
Properties
Complexity: 143  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Literature fold

Title: Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20091015

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