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127425-74-5 | 1H-Inden-1-one, 5-bromo-4-fluoro-2,3-dihydro-
CAS No: 127425-74-5 Catalog No: AG000X2T MDL No:MFCD18208171
Product Description
Catalog Number:
AG000X2T
Chemical Name:
1H-Inden-1-one, 5-bromo-4-fluoro-2,3-dihydro-
CAS Number:
127425-74-5
Molecular Formula:
C9H6BrFO
Molecular Weight:
229.0457
MDL Number:
MFCD18208171
IUPAC Name:
5-bromo-4-fluoro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H6BrFO/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4H2
InChI Key:
CILPXFZGSHPJOA-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1ccc(c2F)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.048g/mol
Monoisotopic Mass:
227.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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