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Home > Nitro Compounds > 46429-76-9
46429-76-9 | N,N-DIMETHYL-3,5-DINITROANILINE
CAS No: 46429-76-9 Catalog No: AG003SKN MDL No:MFCD00671530
Product Description
Catalog Number:
AG003SKN
Chemical Name:
N,N-DIMETHYL-3,5-DINITROANILINE
CAS Number:
46429-76-9
Molecular Formula:
C8H9N3O4
Molecular Weight:
211.1748
MDL Number:
MFCD00671530
IUPAC Name:
N,N-dimethyl-3,5-dinitroaniline
InChI:
InChI=1S/C8H9N3O4/c1-9(2)6-3-7(10(12)13)5-8(4-6)11(14)15/h3-5H,1-2H3
InChI Key:
OXIFFLMOPHMUEE-UHFFFAOYSA-N
SMILES:
CN(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.177g/mol
Monoisotopic Mass:
211.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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