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Home > Fluorides > 1260018-95-8
1260018-95-8 | 1H-Inden-1-one, 6-fluoro-2,3-dihydro-7-methoxy-
CAS No: 1260018-95-8 Catalog No: AG000QQH MDL No:
Product Description
Catalog Number:
AG000QQH
Chemical Name:
1H-Inden-1-one, 6-fluoro-2,3-dihydro-7-methoxy-
CAS Number:
1260018-95-8
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
IUPAC Name:
6-fluoro-7-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9FO2/c1-13-10-7(11)4-2-6-3-5-8(12)9(6)10/h2,4H,3,5H2,1H3
InChI Key:
NWEXGZNZBCSBHO-UHFFFAOYSA-N
SMILES:
COc1c(F)ccc2c1C(=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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