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13744-81-5 | Benzenamine, 2,6-dinitro-N-phenyl-
CAS No: 13744-81-5 Catalog No: AG0013AF MDL No:
Product Description
Catalog Number:
AG0013AF
Chemical Name:
Benzenamine, 2,6-dinitro-N-phenyl-
CAS Number:
13744-81-5
Molecular Formula:
C12H9N3O4
Molecular Weight:
259.2176
IUPAC Name:
2,6-dinitro-N-phenylaniline
InChI:
InChI=1S/C12H9N3O4/c16-14(17)10-7-4-8-11(15(18)19)12(10)13-9-5-2-1-3-6-9/h1-8,13H
InChI Key:
XWRXIHGVIBNXBR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1Nc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.221g/mol
Monoisotopic Mass:
259.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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