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113515-15-4 | Acetamide, N-methyl-2-[(2,4,6-trinitrophenyl)amino]-
CAS No: 113515-15-4 Catalog No: AG0008VC MDL No:
Product Description
Catalog Number:
AG0008VC
Chemical Name:
Acetamide, N-methyl-2-[(2,4,6-trinitrophenyl)amino]-
CAS Number:
113515-15-4
Molecular Formula:
C9H9N5O7
Molecular Weight:
299.1971
IUPAC Name:
N-methyl-2-(2,4,6-trinitroanilino)acetamide
InChI:
InChI=1S/C9H9N5O7/c1-10-8(15)4-11-9-6(13(18)19)2-5(12(16)17)3-7(9)14(20)21/h2-3,11H,4H2,1H3,(H,10,15)
InChI Key:
CQOQTVYTLJTOFB-UHFFFAOYSA-N
SMILES:
CNC(=O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.199g/mol
Monoisotopic Mass:
299.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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