Home Nitros 2,6-Dinitrotoluene-alpha,alpha,alpha-d3

2,6-Dinitrotoluene-alpha,alpha,alpha-d3

CAS No.:
93951-90-7
Catalog Number:
AG006AP3
Molecular Formula:
C7H3D3N2O4
Molecular Weight:
185.1520
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Product Description
Catalog Number:
AG006AP3
Chemical Name:
2,6-Dinitrotoluene-alpha,alpha,alpha-d3
CAS Number:
93951-90-7
Molecular Formula:
C7H3D3N2O4
Molecular Weight:
185.1520
MDL Number:
MFCD00142848
IUPAC Name:
1,3-dinitro-2-(trideuteriomethyl)benzene
InChI:
InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3/i1D3
InChI Key:
XTRDKALNCIHHNI-FIBGUPNXSA-N
SMILES:
C([2H])(c1c(cccc1[N+](=O)[O-])[N+](=O)[O-])([2H])[2H]
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.052g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3  
Molecular Weight:
185.153g/mol
Monoisotopic Mass:
185.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties