Home Halogens Benzothiazole, 5-chloro-6-nitro- (9CI)

Benzothiazole, 5-chloro-6-nitro- (9CI)

CAS No.:
85123-28-0
Catalog Number:
AG00GCHL
Molecular Formula:
C7H3ClN2O2S
Molecular Weight:
214.6289
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Product Description
Catalog Number:
AG00GCHL
Chemical Name:
Benzothiazole, 5-chloro-6-nitro- (9CI)
CAS Number:
85123-28-0
Molecular Formula:
C7H3ClN2O2S
Molecular Weight:
214.6289
MDL Number:
MFCD18826597
IUPAC Name:
5-chloro-6-nitro-1,3-benzothiazole
InChI:
InChI=1S/C7H3ClN2O2S/c8-4-1-5-7(13-3-9-5)2-6(4)10(11)12/h1-3H
InChI Key:
OCARCLRLOLFHPY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2scnc2cc1Cl
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