Home Nitriles 4-Chloro-1h-indole-2-carbonitrile

4-Chloro-1h-indole-2-carbonitrile

CAS No.:
4404-11-9
Catalog Number:
AG00DKEP
Molecular Formula:
C9H5ClN2
Molecular Weight:
176.6024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$270
- +
1g
95%
1 week
United States
$617
- +
Product Description
Catalog Number:
AG00DKEP
Chemical Name:
4-Chloro-1h-indole-2-carbonitrile
CAS Number:
4404-11-9
Molecular Formula:
C9H5ClN2
Molecular Weight:
176.6024
MDL Number:
MFCD23135759
IUPAC Name:
4-chloro-1H-indole-2-carbonitrile
InChI:
InChI=1S/C9H5ClN2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,12H
InChI Key:
FDAFJTFFVWHCOX-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c([nH]1)cccc2Cl
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.014g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.603g/mol
Monoisotopic Mass:
176.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties