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Home Aldehydes 5-Chloroindole-3-carboxaldehyde

5-Chloroindole-3-carboxaldehyde

CAS No.:
827-01-0
Catalog Number:
AG003495
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$113
- +
10g
97%
In Stock USA
United States
$213
- +
25g
97%
In Stock USA
United States
$500
- +
100g
97%
In Stock USA
United States
$1688
- +
Product Description
Catalog Number:
AG003495
Chemical Name:
5-Chloroindole-3-carboxaldehyde
CAS Number:
827-01-0
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD00175291
IUPAC Name:
5-chloro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6ClNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChI Key:
YXEXOIGXNYITQH-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(Cl)cc2
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Synthesis and antioxidant activity evaluations of melatonin-based analogue indole-hydrazide/hydrazone derivatives. Journal of enzyme inhibition and medicinal chemistry 20120601
Properties