Home Nitriles 6-Chloroindole-3-acetonitrile

6-Chloroindole-3-acetonitrile

CAS No.:
61220-58-4
Catalog Number:
AG00E93C
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (assay)
1 week
United States
$82
- +
5g
≥ 98% (assay)
1 week
United States
$221
- +
25g
≥ 98% (assay)
1 week
United States
$886
- +
Product Description
Catalog Number:
AG00E93C
Chemical Name:
6-Chloroindole-3-acetonitrile
CAS Number:
61220-58-4
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
MDL Number:
MFCD03428598
IUPAC Name:
2-(6-chloro-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H7ClN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2
InChI Key:
RWEBGNJFKXWENX-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1ccc(c2)Cl
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.63g/mol
Monoisotopic Mass:
190.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
2-(6-Chloro-1H-indol-3-yl)acetonitrile. Acta crystallographica. Section E, Structure reports online 20120101
Properties