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16210-64-3 | 1H-Indene-1,3(2H)-dione, 2-[(4-fluorophenyl)methylene]-
CAS No: 16210-64-3 Catalog No: AG001SR2 MDL No:MFCD00188604
Product Description
Catalog Number:
AG001SR2
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[(4-fluorophenyl)methylene]-
CAS Number:
16210-64-3
Molecular Formula:
C16H9FO2
Molecular Weight:
252.2399
MDL Number:
MFCD00188604
IUPAC Name:
2-[(4-fluorophenyl)methylidene]indene-1,3-dione
InChI:
InChI=1S/C16H9FO2/c17-11-7-5-10(6-8-11)9-14-15(18)12-3-1-2-4-13(12)16(14)19/h1-9H
InChI Key:
MBHDCJLDOHEKIU-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccc(cc2)F)C(=O)c2c1cccc2
NSC Number:
641178
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.244g/mol
Monoisotopic Mass:
252.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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