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87165-17-1 | 2-Cyano-N-(2,5-difluorophenyl)acetamide
CAS No: 87165-17-1 Catalog No: AG01EY0Y MDL No:MFCD09948941
Product Description
Catalog Number:
AG01EY0Y
Chemical Name:
2-Cyano-N-(2,5-difluorophenyl)acetamide
CAS Number:
87165-17-1
Molecular Formula:
C9H6F2N2O
Molecular Weight:
196.1535
MDL Number:
MFCD09948941
IUPAC Name:
2-cyano-N-(2,5-difluorophenyl)acetamide
InChI:
InChI=1S/C9H6F2N2O/c10-6-1-2-7(11)8(5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChI Key:
ISWVCVSBAFFZHO-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1NC(=O)CC#N)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.157g/mol
Monoisotopic Mass:
196.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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