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Home > Bromides > 1003048-72-3
1003048-72-3 | 1H-Inden-1-one, 4-bromo-7-fluoro-2,3-dihydro-
CAS No: 1003048-72-3 Catalog No: AG0001K4 MDL No:MFCD17677340
Product Description
Catalog Number:
AG0001K4
Chemical Name:
1H-Inden-1-one, 4-bromo-7-fluoro-2,3-dihydro-
CAS Number:
1003048-72-3
Molecular Formula:
C9H6BrFO
Molecular Weight:
229.0457
MDL Number:
MFCD17677340
IUPAC Name:
4-bromo-7-fluoro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H6BrFO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2
InChI Key:
HNXHWYGTXAJDEC-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1c(F)ccc2Br
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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