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Home > Fluorides > 560103-27-7
560103-27-7 | 2-Cyano-N-(4-fluoro-3-nitrophenyl)acetamide
CAS No: 560103-27-7 Catalog No: AG01EWGE MDL No:
Product Description
Catalog Number:
AG01EWGE
Chemical Name:
2-Cyano-N-(4-fluoro-3-nitrophenyl)acetamide
CAS Number:
560103-27-7
Molecular Formula:
C9H6FN3O3
Molecular Weight:
223.1606
IUPAC Name:
2-cyano-N-(4-fluoro-3-nitrophenyl)acetamide
InChI:
InChI=1S/C9H6FN3O3/c10-7-2-1-6(5-8(7)13(15)16)12-9(14)3-4-11/h1-2,5H,3H2,(H,12,14)
InChI Key:
YAKSGNGEWQYAKS-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])F
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.163g/mol
Monoisotopic Mass:
223.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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