Home Nitriles 2-Chlorobenzothiazole-6-carbonitrile

2-Chlorobenzothiazole-6-carbonitrile

CAS No.:
80945-83-1
Catalog Number:
AG0038F7
Molecular Formula:
C8H3ClN2S
Molecular Weight:
194.6408
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$188
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Product Description
Catalog Number:
AG0038F7
Chemical Name:
2-Chlorobenzothiazole-6-carbonitrile
CAS Number:
80945-83-1
Molecular Formula:
C8H3ClN2S
Molecular Weight:
194.6408
MDL Number:
MFCD09743933
IUPAC Name:
2-chloro-1,3-benzothiazole-6-carbonitrile
InChI:
InChI=1S/C8H3ClN2S/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H
InChI Key:
DHBTVASVKVLZBJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)sc(n2)Cl
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.971g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.636g/mol
Monoisotopic Mass:
193.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties