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23621-88-7 | 1,2,3-Benzothiadiazole, 7-chloro-
CAS No: 23621-88-7 Catalog No: AG002NXV MDL No:
Product Description
Catalog Number:
AG002NXV
Chemical Name:
1,2,3-Benzothiadiazole, 7-chloro-
CAS Number:
23621-88-7
Molecular Formula:
C6H3ClN2S
Molecular Weight:
170.6194
IUPAC Name:
7-chloro-1,2,3-benzothiadiazole
InChI:
InChI=1S/C6H3ClN2S/c7-4-2-1-3-5-6(4)10-9-8-5/h1-3H
InChI Key:
JKRBCVUYXGAUJJ-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1snn2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.971g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.614g/mol
Monoisotopic Mass:
169.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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