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17821-93-1 | 2,1,3-Benzothiadiazole, 5,6-dichloro-
CAS No: 17821-93-1 Catalog No: AG0025TS MDL No:MFCD00277454
Product Description
Catalog Number:
AG0025TS
Chemical Name:
2,1,3-Benzothiadiazole, 5,6-dichloro-
CAS Number:
17821-93-1
Molecular Formula:
C6H2Cl2N2S
Molecular Weight:
205.0645
MDL Number:
MFCD00277454
IUPAC Name:
5,6-dichloro-2,1,3-benzothiadiazole
InChI:
InChI=1S/C6H2Cl2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChI Key:
FANYVGCAISPJSX-UHFFFAOYSA-N
SMILES:
Clc1cc2nsnc2cc1Cl
NSC Number:
202480
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.932g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.056g/mol
Monoisotopic Mass:
203.932g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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