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Home > Nitro Compounds > 40318-31-8
40318-31-8 | 3,4-dimethyl-2,6-dinitroaniline
CAS No: 40318-31-8 Catalog No: AG01DWEQ MDL No:MFCD08437474
Product Description
Catalog Number:
AG01DWEQ
Chemical Name:
3,4-dimethyl-2,6-dinitroaniline
CAS Number:
40318-31-8
Molecular Formula:
C8H9N3O4
Molecular Weight:
211.1748
MDL Number:
MFCD08437474
IUPAC Name:
3,4-dimethyl-2,6-dinitroaniline
InChI:
InChI=1S/C8H9N3O4/c1-4-3-6(10(12)13)7(9)8(5(4)2)11(14)15/h3H,9H2,1-2H3
InChI Key:
MHTNLJYRURGLAC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(c(c1N)[N+](=O)[O-])C
Properties
Complexity:
272
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:
1
Isotope Atom Count:
0
Molecular Weight:
211.177g/mol
Monoisotopic Mass:
211.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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