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Home > Fluorides > 1260012-62-1
1260012-62-1 | 1H-Inden-1-one, 5-fluoro-2,3-dihydro-4-methoxy-
CAS No: 1260012-62-1 Catalog No: AG000QQD MDL No:
Product Description
Catalog Number:
AG000QQD
Chemical Name:
1H-Inden-1-one, 5-fluoro-2,3-dihydro-4-methoxy-
CAS Number:
1260012-62-1
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
IUPAC Name:
5-fluoro-4-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9FO2/c1-13-10-7-3-5-9(12)6(7)2-4-8(10)11/h2,4H,3,5H2,1H3
InChI Key:
LUMRNUNZLNHBSW-UHFFFAOYSA-N
SMILES:
COc1c(F)ccc2c1CCC2=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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