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Home > Fluorides > 295779-81-6
295779-81-6 | 1H-Inden-1-one, 4-fluoro-2,3-dihydro-5-methoxy-
CAS No: 295779-81-6 Catalog No: AG002YSC MDL No:MFCD18647832
Product Description
Catalog Number:
AG002YSC
Chemical Name:
1H-Inden-1-one, 4-fluoro-2,3-dihydro-5-methoxy-
CAS Number:
295779-81-6
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
MDL Number:
MFCD18647832
IUPAC Name:
4-fluoro-5-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9FO2/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5H,2,4H2,1H3
InChI Key:
PHWKZJQHPREIDN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1F)CCC2=O
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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