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131456-85-4

131456-85-4 | Acetamide, 2-chloro-N-(2-cyano-4-nitrophenyl)-

CAS No: 131456-85-4 Catalog No: AG000W7R MDL No:MFCD02580968

Product Description

Catalog Number:
AG000W7R
Chemical Name:
Acetamide, 2-chloro-N-(2-cyano-4-nitrophenyl)-
CAS Number:
131456-85-4
Molecular Formula:
C9H6ClN3O3
Molecular Weight:
239.6152
MDL Number:
MFCD02580968
IUPAC Name:
2-chloro-N-(2-cyano-4-nitrophenyl)acetamide
InChI:
InChI=1S/C9H6ClN3O3/c10-4-9(14)12-8-2-1-7(13(15)16)3-6(8)5-11/h1-3H,4H2,(H,12,14)
InChI Key:
ZVFPITXYMVJWTC-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1ccc(cc1C#N)[N+](=O)[O-]

Properties

Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.01g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.615g/mol
Monoisotopic Mass:
239.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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