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126759-26-0 | Benzamide, N-[2-(diethylamino)-1-methyl-2-oxoethyl]-3,5-dinitro-
CAS No: 126759-26-0 Catalog No: AG000T77 MDL No:
Product Description
Catalog Number:
AG000T77
Chemical Name:
Benzamide, N-[2-(diethylamino)-1-methyl-2-oxoethyl]-3,5-dinitro-
CAS Number:
126759-26-0
Molecular Formula:
C14H18N4O6
Molecular Weight:
338.3159
IUPAC Name:
N-[1-(diethylamino)-1-oxopropan-2-yl]-3,5-dinitrobenzamide
InChI:
InChI=1S/C14H18N4O6/c1-4-16(5-2)14(20)9(3)15-13(19)10-6-11(17(21)22)8-12(7-10)18(23)24/h6-9H,4-5H2,1-3H3,(H,15,19)
InChI Key:
RWKPASLBSJEORF-UHFFFAOYSA-N
SMILES:
CCN(C(=O)C(NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C)CC
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.32g/mol
Monoisotopic Mass:
338.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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