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1260013-11-3 | 1H-Inden-1-one, 5-chloro-4-fluoro-2,3-dihydro-
CAS No: 1260013-11-3 Catalog No: AG000QQ7 MDL No:MFCD18208183
Product Description
Catalog Number:
AG000QQ7
Chemical Name:
1H-Inden-1-one, 5-chloro-4-fluoro-2,3-dihydro-
CAS Number:
1260013-11-3
Molecular Formula:
C9H6ClFO
Molecular Weight:
184.5947
MDL Number:
MFCD18208183
IUPAC Name:
5-chloro-4-fluoro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H6ClFO/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4H2
InChI Key:
VRURYMJQFZRENG-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1ccc(c2F)Cl
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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