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881986-19-2 | N-(2,6-dichlorophenyl)-2,4-dinitroaniline
CAS No: 881986-19-2 Catalog No: AG004DYH MDL No:
Product Description
Catalog Number:
AG004DYH
Chemical Name:
N-(2,6-dichlorophenyl)-2,4-dinitroaniline
CAS Number:
881986-19-2
Molecular Formula:
C12H7Cl2N3O4
Molecular Weight:
328.1077
IUPAC Name:
2,6-dichloro-N-(2,4-dinitrophenyl)aniline
InChI:
InChI=1S/C12H7Cl2N3O4/c13-8-2-1-3-9(14)12(8)15-10-5-4-7(16(18)19)6-11(10)17(20)21/h1-6,15H
InChI Key:
OCRGOBLDDRMTIX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Nc1c(Cl)cccc1Cl)[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.981g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.105g/mol
Monoisotopic Mass:
326.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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