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Home > Nitro Compounds > 853-96-3
853-96-3 | Cyclopentanone,2-cyclopentylidene-, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 853-96-3 Catalog No: AG004TM0 MDL No:
Product Description
Catalog Number:
AG004TM0
Chemical Name:
Cyclopentanone,2-cyclopentylidene-, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
853-96-3
Molecular Formula:
C16H18N4O4
Molecular Weight:
330.3385
IUPAC Name:
N-[(2-cyclopentylidenecyclopentylidene)amino]-2,4-dinitroaniline
InChI:
InChI=1S/C16H18N4O4/c21-19(22)12-8-9-15(16(10-12)20(23)24)18-17-14-7-3-6-13(14)11-4-1-2-5-11/h8-10,18H,1-7H2
InChI Key:
YGWRVUUUCUHZGP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NN=C1CCCC1=C1CCCC1)[N+](=O)[O-]
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.133g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.344g/mol
Monoisotopic Mass:
330.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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