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Home Other Building Blocks 3-Chloro-1h-indole

3-Chloro-1h-indole

CAS No.:
16863-96-0
Catalog Number:
AG001Y7S
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$181
- +
1g
95%
1 week
United States
$396
- +
5g
95%
1 week
United States
$1112
- +
Product Description
Catalog Number:
AG001Y7S
Chemical Name:
3-Chloro-1h-indole
CAS Number:
16863-96-0
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD09250863
IUPAC Name:
3-chloro-1H-indole
InChI:
InChI=1S/C8H6ClN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChI Key:
GVSMQKKMAYLKMM-UHFFFAOYSA-N
SMILES:
Clc1c[nH]c2c1cccc2
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.593g/mol
Monoisotopic Mass:
151.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Design, structure-activity relationships, X-ray crystal structure, and energetic contributions of a critical P1 pharmacophore: 3-chloroindole-7-yl-based factor Xa inhibitors. Journal of medicinal chemistry 20081211
Oxidative cross-linking of tryptophan to glycine restrains matrix metalloproteinase activity: specific structural motifs control protein oxidation. The Journal of biological chemistry 20040220
Indole and 3-chloroindole: The source of the disagreeable odor of Hygrophorus paupertinus. Mycologia 20030101
Properties