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2942-22-5

2942-22-5 | Benzothiazole, 2-chloro-7-nitro-

CAS No: 2942-22-5 Catalog No: AG002YBS MDL No:MFCD09749259

Product Description

Catalog Number:
AG002YBS
Chemical Name:
Benzothiazole, 2-chloro-7-nitro-
CAS Number:
2942-22-5
Molecular Formula:
C7H3ClN2O2S
Molecular Weight:
214.6289
MDL Number:
MFCD09749259
IUPAC Name:
2-chloro-7-nitro-1,3-benzothiazole
InChI:
InChI=1S/C7H3ClN2O2S/c8-7-9-4-2-1-3-5(10(11)12)6(4)13-7/h1-3H
InChI Key:
QJZBFYGAHQZGHF-UHFFFAOYSA-N
SMILES:
Clc1nc2c(s1)c(ccc2)[N+](=O)[O-]

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:
3.2  

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