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Home > Nitro Compounds > 331962-84-6
331962-84-6 | 2-[4-(2,2-Dicyano-vinyl)-phenoxy]-N-(3-nitro-phenyl)-acetamide
CAS No: 331962-84-6 Catalog No: AG01EUZW MDL No:
Product Description
Catalog Number:
AG01EUZW
Chemical Name:
2-[4-(2,2-Dicyano-vinyl)-phenoxy]-N-(3-nitro-phenyl)-acetamide
CAS Number:
331962-84-6
Molecular Formula:
C18H12N4O4
Molecular Weight:
348.3123
IUPAC Name:
2-[4-(2,2-dicyanoethenyl)phenoxy]-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C18H12N4O4/c19-10-14(11-20)8-13-4-6-17(7-5-13)26-12-18(23)21-15-2-1-3-16(9-15)22(24)25/h1-9H,12H2,(H,21,23)
InChI Key:
AHUJYWQBZNKPNU-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)OCC(=O)Nc1cccc(c1)[N+](=O)[O-])C#N
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.086g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.318g/mol
Monoisotopic Mass:
348.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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