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Home > Fluorides > 828267-61-4
828267-61-4 | 2-Pyrrolidinone, 1-(6-fluoro-2,3-dihydro-3-oxo-1H-inden-1-yl)-
CAS No: 828267-61-4 Catalog No: AG004SYA MDL No:
Product Description
Catalog Number:
AG004SYA
Chemical Name:
2-Pyrrolidinone, 1-(6-fluoro-2,3-dihydro-3-oxo-1H-inden-1-yl)-
CAS Number:
828267-61-4
Molecular Formula:
C13H12FNO2
Molecular Weight:
233.2383
IUPAC Name:
1-(6-fluoro-3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one
InChI:
InChI=1S/C13H12FNO2/c14-8-3-4-9-10(6-8)11(7-12(9)16)15-5-1-2-13(15)17/h3-4,6,11H,1-2,5,7H2
InChI Key:
QXJGBLOXHRLAEB-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C(CC2=O)N1CCCC1=O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.242g/mol
Monoisotopic Mass:
233.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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