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100908-62-1 | 2-Propenamide, 2-cyano-3-(3-fluorophenyl)-
CAS No: 100908-62-1 Catalog No: AG000368 MDL No:
Product Description
Catalog Number:
AG000368
Chemical Name:
2-Propenamide, 2-cyano-3-(3-fluorophenyl)-
CAS Number:
100908-62-1
Molecular Formula:
C10H7FN2O
Molecular Weight:
190.1738
IUPAC Name:
2-cyano-3-(3-fluorophenyl)prop-2-enamide
InChI:
InChI=1S/C10H7FN2O/c11-9-3-1-2-7(5-9)4-8(6-12)10(13)14/h1-5H,(H2,13,14)
InChI Key:
NVGNGLIOIXXMRZ-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cccc(c1)F)C(=O)N
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.177g/mol
Monoisotopic Mass:
190.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
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