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Home > Nitro Compounds > 84344-04-7
84344-04-7 | 2-Nitrotoluene-d7
CAS No: 84344-04-7 Catalog No: AG00560O MDL No:
Product Description
Catalog Number:
AG00560O
Chemical Name:
2-Nitrotoluene-d7
CAS Number:
84344-04-7
Molecular Formula:
C7D7NO2
Molecular Weight:
144.1791
IUPAC Name:
1,2,3,4-tetradeuterio-5-nitro-6-(trideuteriomethyl)benzene
InChI:
InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3/i1D3,2D,3D,4D,5D
InChI Key:
PLAZTCDQAHEYBI-AAYPNNLASA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1[2H])[N+](=O)[O-])C([2H])([2H])[2H]
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.092g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
7
Molecular Weight:
144.181g/mol
Monoisotopic Mass:
144.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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