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Also known as: 115398-34-0, 5-chlorobenzo[d][1,2,3]thiadiazol-4-amine, 5-chloro-1,2,3-benzothiadiazol-4-amine, Schembl9112914, Akos006285488, Db-041263
Molecular Formula
C6H4ClN3S
Molecular Weight
185.64  g/mol
InChI Key
CWKMSZCIOQXCLT-UHFFFAOYSA-N

CAS 115398-34-0
1 2D Structure

CAS 115398-34-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-chloro-1,2,3-benzothiadiazol-4-amine
2.1.2 InChI
InChI=1S/C6H4ClN3S/c7-3-1-2-4-6(5(3)8)9-10-11-4/h1-2H,8H2
2.1.3 InChI Key
CWKMSZCIOQXCLT-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 115398-34-0

2. 5-chlorobenzo[d][1,2,3]thiadiazol-4-amine

3. 5-chloro-1,2,3-benzothiadiazol-4-amine

4. Schembl9112914

5. Akos006285488

6. Db-041263

7. 5-chloranyl-1,2,3-benzothiadiazol-4-amine

8. A820417

2.3 Create Date
2009-05-29
3 Chemical and Physical Properties
Molecular Weight 185.64 g/mol
Molecular Formula C6H4ClN3S
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area80
Heavy Atom Count11
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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