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768-10-5 | 2,1,3-Benzothiadiazol-5-ol
CAS No: 768-10-5 Catalog No: AG005I89 MDL No:
Product Description
Catalog Number:
AG005I89
Chemical Name:
2,1,3-Benzothiadiazol-5-ol
CAS Number:
768-10-5
Molecular Formula:
C6H4N2OS
Molecular Weight:
152.1738
IUPAC Name:
2,1,3-benzothiadiazol-5-ol
InChI:
InChI=1S/C6H4N2OS/c9-4-1-2-5-6(3-4)8-10-7-5/h1-3,9H
InChI Key:
YEAIESZWIBYJPL-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)nsn2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.171g/mol
Monoisotopic Mass:
152.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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