Home Nitros Methyl 2-methyl-3,5-dinitrobenzoate

Methyl 2-methyl-3,5-dinitrobenzoate

CAS No.:
52090-24-1
Catalog Number:
AG003ROL
Molecular Formula:
C9H8N2O6
Molecular Weight:
240.1696
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$84
- +
5g
97%
1 week
United States
$174
- +
Product Description
Catalog Number:
AG003ROL
Chemical Name:
Methyl 2-methyl-3,5-dinitrobenzoate
CAS Number:
52090-24-1
Molecular Formula:
C9H8N2O6
Molecular Weight:
240.1696
MDL Number:
MFCD00229501
IUPAC Name:
methyl 2-methyl-3,5-dinitrobenzoate
InChI:
InChI=1S/C9H8N2O6/c1-5-7(9(12)17-2)3-6(10(13)14)4-8(5)11(15)16/h3-4H,1-2H3
InChI Key:
ISOMVMHVOAAAJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.038g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.171g/mol
Monoisotopic Mass:
240.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Methyl 2-methyl-3,5-dinitro-benzoate. Acta crystallographica. Section E, Structure reports online 20100201
Properties