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19546-92-0

19546-92-0 | 6H-Pyrazolo[3,4-g]benzothiazole

CAS No: 19546-92-0 Catalog No: AG00748L MDL No:

Product Description

Catalog Number:
AG00748L
Chemical Name:
6H-Pyrazolo[3,4-g]benzothiazole
CAS Number:
19546-92-0
Molecular Formula:
C8H5N3S
Molecular Weight:
175.2104
IUPAC Name:
6H-pyrazolo[3,4-g][1,3]benzothiazole
InChI:
InChI=1S/C8H5N3S/c1-2-7-8(12-4-9-7)5-3-10-11-6(1)5/h1-4H,(H,10,11)
InChI Key:
OBVBYASRAPTFFQ-UHFFFAOYSA-N
SMILES:
n1[nH]c2c(c1)c1scnc1cc2

Properties

Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.209g/mol
Monoisotopic Mass:
175.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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