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19990-27-3 | 2(5H)-Furanone, 5-[(4-chlorophenyl)imino]-
CAS No: 19990-27-3 Catalog No: AG002CFZ MDL No:
Product Description
Catalog Number:
AG002CFZ
Chemical Name:
2(5H)-Furanone, 5-[(4-chlorophenyl)imino]-
CAS Number:
19990-27-3
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
IUPAC Name:
5-(4-chlorophenyl)iminofuran-2-one
InChI:
InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9-5-6-10(13)14-9/h1-6H
InChI Key:
DOABKVLPQKLQAZ-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=Nc2ccc(cc2)Cl)O1
NSC Number:
144233
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.009g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.613g/mol
Monoisotopic Mass:
207.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore. | Bioorganic & medicinal chemistry letters 20100301 |
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