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Home > Fluorides > 1199782-74-5
1199782-74-5 | 1H-Inden-1-one, 7-fluoro-2,3-dihydro-5-methoxy-
CAS No: 1199782-74-5 Catalog No: AG000PXU MDL No:MFCD09908162
Product Description
Catalog Number:
AG000PXU
Chemical Name:
1H-Inden-1-one, 7-fluoro-2,3-dihydro-5-methoxy-
CAS Number:
1199782-74-5
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
MDL Number:
MFCD09908162
IUPAC Name:
7-fluoro-5-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9FO2/c1-13-7-4-6-2-3-9(12)10(6)8(11)5-7/h4-5H,2-3H2,1H3
InChI Key:
FDNWTRIRARZLBG-UHFFFAOYSA-N
SMILES:
COc1cc(F)c2c(c1)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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