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42348-86-7 | 5-Chloro-1-indanone
CAS No: 42348-86-7 Catalog No: AG00348P MDL No:MFCD00041456
Product Description
Catalog Number:
AG00348P
Chemical Name:
5-Chloro-1-indanone
CAS Number:
42348-86-7
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD00041456
IUPAC Name:
5-chloro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChI Key:
MEDSHTHCZIOVPU-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CCC2=O
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
Literature
| Title | Journal |
|---|---|
| 5-Hy-droxy-indan-1-one. | Acta crystallographica. Section E, Structure reports online 20110401 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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