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Home > Fluorides > 295779-79-2
295779-79-2 | 1H-Inden-1-one, 7-fluoro-2,3-dihydro-6-methoxy-
CAS No: 295779-79-2 Catalog No: AG002YSD MDL No:
Product Description
Catalog Number:
AG002YSD
Chemical Name:
1H-Inden-1-one, 7-fluoro-2,3-dihydro-6-methoxy-
CAS Number:
295779-79-2
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
IUPAC Name:
7-fluoro-6-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9FO2/c1-13-8-5-3-6-2-4-7(12)9(6)10(8)11/h3,5H,2,4H2,1H3
InChI Key:
ZRLBNYKAAXFZBS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1F)C(=O)CC2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.178g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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