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Home Other Building Blocks 5-Chloro-1-indanone

5-Chloro-1-indanone

CAS No.:
42348-86-7
Catalog Number:
AG00348P
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$25
- +
100g
97%
In Stock USA
United States
$63
- +
500g
97%
In Stock USA
United States
$188
- +
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
Properties