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Home > Nitro Compounds > 13181-10-7
13181-10-7 | 2-Propanone, O-(2,4-dinitrophenyl)oxime
CAS No: 13181-10-7 Catalog No: AG000ZRT MDL No:MFCD00218776
Product Description
Catalog Number:
AG000ZRT
Chemical Name:
2-Propanone, O-(2,4-dinitrophenyl)oxime
CAS Number:
13181-10-7
Molecular Formula:
C9H9N3O5
Molecular Weight:
239.1849
MDL Number:
MFCD00218776
IUPAC Name:
N-(2,4-dinitrophenoxy)propan-2-imine
InChI:
InChI=1S/C9H9N3O5/c1-6(2)10-17-9-4-3-7(11(13)14)5-8(9)12(15)16/h3-5H,1-2H3
InChI Key:
FRNRURMYMBFWLM-UHFFFAOYSA-N
SMILES:
CC(=NOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
NSC Number:
280781
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.187g/mol
Monoisotopic Mass:
239.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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