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1260008-48-7 | 1H-Inden-1-one, 7-chloro-5-fluoro-2,3-dihydro-
CAS No: 1260008-48-7 Catalog No: AG000QPE MDL No:
Product Description
Catalog Number:
AG000QPE
Chemical Name:
1H-Inden-1-one, 7-chloro-5-fluoro-2,3-dihydro-
CAS Number:
1260008-48-7
Molecular Formula:
C9H6ClFO
Molecular Weight:
184.5947
IUPAC Name:
7-chloro-5-fluoro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H6ClFO/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4H,1-2H2
InChI Key:
NMXMPCZIVXSMSO-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)c2c(c1)CCC2=O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.594g/mol
Monoisotopic Mass:
184.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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