Home Nitriles 4-Chlorobenzo[d]thiazole-2-carbonitrile

4-Chlorobenzo[d]thiazole-2-carbonitrile

CAS No.:
1188232-19-0
Catalog Number:
AG0080TL
Molecular Formula:
C8H3ClN2S
Molecular Weight:
194.6408
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Product Description
Catalog Number:
AG0080TL
Chemical Name:
4-Chlorobenzo[d]thiazole-2-carbonitrile
CAS Number:
1188232-19-0
Molecular Formula:
C8H3ClN2S
Molecular Weight:
194.6408
MDL Number:
MFCD11217311
IUPAC Name:
4-chloro-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C8H3ClN2S/c9-5-2-1-3-6-8(5)11-7(4-10)12-6/h1-3H
InChI Key:
RKSFAGLRRUAFLU-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(n1)c(Cl)ccc2
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:
3.1  
Properties