Home Halogens 5-chloro-4-nitro-1,3-benzothiazole

5-chloro-4-nitro-1,3-benzothiazole

CAS No.:
1087792-31-1
Catalog Number:
AG019MV3
Molecular Formula:
C7H3ClN2O2S
Molecular Weight:
214.6289
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Product Description
Catalog Number:
AG019MV3
Chemical Name:
5-chloro-4-nitro-1,3-benzothiazole
CAS Number:
1087792-31-1
Molecular Formula:
C7H3ClN2O2S
Molecular Weight:
214.6289
MDL Number:
MFCD11099544
IUPAC Name:
5-chloro-4-nitro-1,3-benzothiazole
InChI:
InChI=1S/C7H3ClN2O2S/c8-4-1-2-5-6(9-3-13-5)7(4)10(11)12/h1-3H
InChI Key:
JCWDUKKVPUULOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)ccc2c1ncs2
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.96g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.623g/mol
Monoisotopic Mass:
213.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties