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30535-76-3 | 2,1,3-Benzothiadiazol-5-ol, 4-bromo-
CAS No: 30535-76-3 Catalog No: AG0030GA MDL No:
Product Description
Catalog Number:
AG0030GA
Chemical Name:
2,1,3-Benzothiadiazol-5-ol, 4-bromo-
CAS Number:
30535-76-3
Molecular Formula:
C6H3BrN2OS
Molecular Weight:
231.0698
IUPAC Name:
4-bromo-2,1,3-benzothiadiazol-5-ol
InChI:
InChI=1S/C6H3BrN2OS/c7-5-4(10)2-1-3-6(5)9-11-8-3/h1-2,10H
InChI Key:
MQQUYYBKFVXVLQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1Br)nsn2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.915g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.067g/mol
Monoisotopic Mass:
229.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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