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Home > Nitro Compounds > 13289-16-2
13289-16-2 | 1-Propanone, 2-methyl-1-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 13289-16-2 Catalog No: AG0011C4 MDL No:
Product Description
Catalog Number:
AG0011C4
Chemical Name:
1-Propanone, 2-methyl-1-phenyl-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
13289-16-2
Molecular Formula:
C16H16N4O4
Molecular Weight:
328.3226
IUPAC Name:
N-[(2-methyl-1-phenylpropylidene)amino]-2,4-dinitroaniline
InChI:
InChI=1S/C16H16N4O4/c1-11(2)16(12-6-4-3-5-7-12)18-17-14-9-8-13(19(21)22)10-15(14)20(23)24/h3-11,17H,1-2H3
InChI Key:
BBWHJPVNVNUGOQ-UHFFFAOYSA-N
SMILES:
CC(C(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccccc1)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.328g/mol
Monoisotopic Mass:
328.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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