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Home > Nitro Compounds > 66591-36-4
66591-36-4 | 3,3,4-Trimethyl-2-pentanon (2,4-dinitrophenyl)hydrazone
CAS No: 66591-36-4 Catalog No: AG00FXPL MDL No:
Product Description
Catalog Number:
AG00FXPL
Chemical Name:
3,3,4-Trimethyl-2-pentanon (2,4-dinitrophenyl)hydrazone
CAS Number:
66591-36-4
Molecular Formula:
C14H20N4O4
Molecular Weight:
308.3330
IUPAC Name:
2,4-dinitro-N-(3,3,4-trimethylpentan-2-ylideneamino)aniline
InChI:
InChI=1S/C14H20N4O4/c1-9(2)14(4,5)10(3)15-16-12-7-6-11(17(19)20)8-13(12)18(21)22/h6-9,16H,1-5H3
InChI Key:
MFKMNVPRLDSTNR-UHFFFAOYSA-N
SMILES:
CC(C(C(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C)(C)C)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.338g/mol
Monoisotopic Mass:
308.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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