Home Carboxys 4-Chloroindole-3-carboxylic acid

4-Chloroindole-3-carboxylic acid

CAS No.:
23872-36-8
Catalog Number:
AG0037R5
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$137
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Product Description
Catalog Number:
AG0037R5
Chemical Name:
4-Chloroindole-3-carboxylic acid
CAS Number:
23872-36-8
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD07776617
IUPAC Name:
4-chloro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,(H,12,13)
InChI Key:
DRKHLIJRUYVIOY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(Cl)ccc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties