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15115-59-0 | 1H-Inden-1-one, 4-chloro-2,3-dihydro-
CAS No: 15115-59-0 Catalog No: AG001N4R MDL No:MFCD08544408
Product Description
Catalog Number:
AG001N4R
Chemical Name:
1H-Inden-1-one, 4-chloro-2,3-dihydro-
CAS Number:
15115-59-0
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD08544408
IUPAC Name:
4-chloro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7ClO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChI Key:
MYCZDIIPHIGLCH-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cccc2Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.604g/mol
Monoisotopic Mass:
166.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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