Home Nitriles 2-(5-Chloro-1H-indol-3-yl)acetonitrile

2-(5-Chloro-1H-indol-3-yl)acetonitrile

CAS No.:
81630-83-3
Catalog Number:
AG005JKL
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$300
- +
1g
97%
1 week
United States
$695
- +
Product Description
Catalog Number:
AG005JKL
Chemical Name:
2-(5-Chloro-1H-indol-3-yl)acetonitrile
CAS Number:
81630-83-3
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
MDL Number:
MFCD09751323
IUPAC Name:
2-(5-chloro-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H7ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2
InChI Key:
UHFZUNGNGGEESB-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1cc(Cl)cc2
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:
1.5  
Properties