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15942-22-0 | Propanenitrile, 3-[(2,4-dinitrophenyl)amino]-
CAS No: 15942-22-0 Catalog No: AG001QP3 MDL No:
Product Description
Catalog Number:
AG001QP3
Chemical Name:
Propanenitrile, 3-[(2,4-dinitrophenyl)amino]-
CAS Number:
15942-22-0
Molecular Formula:
C9H8N4O4
Molecular Weight:
236.1842
IUPAC Name:
3-(2,4-dinitroanilino)propanenitrile
InChI:
InChI=1S/C9H8N4O4/c10-4-1-5-11-8-3-2-7(12(14)15)6-9(8)13(16)17/h2-3,6,11H,1,5H2
InChI Key:
PYNMMUDDQYESSU-UHFFFAOYSA-N
SMILES:
N#CCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.187g/mol
Monoisotopic Mass:
236.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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