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Home > Nitro Compounds > 681466-46-6
681466-46-6 | 3-(2,4-dinitrophenyl)propanamide
CAS No: 681466-46-6 Catalog No: AG01AA4N MDL No:MFCD01110993
Product Description
Catalog Number:
AG01AA4N
Chemical Name:
3-(2,4-dinitrophenyl)propanamide
CAS Number:
681466-46-6
Molecular Formula:
C9H9N3O5
Molecular Weight:
239.1849
MDL Number:
MFCD01110993
IUPAC Name:
3-(2,4-dinitrophenyl)propanamide
InChI:
InChI=1S/C9H9N3O5/c10-9(13)4-2-6-1-3-7(11(14)15)5-8(6)12(16)17/h1,3,5H,2,4H2,(H2,10,13)
InChI Key:
QMHIOEYRHBAHBW-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
322
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.187g/mol
Monoisotopic Mass:
239.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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