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1215205-70-1

1215205-70-1 | 2-Benzothiazolesulfonic acid, 5-bromo-

CAS No: 1215205-70-1 Catalog No: AG00155J MDL No:MFCD13195726

Product Description

Catalog Number:
AG00155J
Chemical Name:
2-Benzothiazolesulfonic acid, 5-bromo-
CAS Number:
1215205-70-1
Molecular Formula:
C7H4BrNO3S2
Molecular Weight:
294.1456
MDL Number:
MFCD13195726
IUPAC Name:
5-bromo-1,3-benzothiazole-2-sulfonic acid
InChI:
InChI=1S/C7H4BrNO3S2/c8-4-1-2-6-5(3-4)9-7(13-6)14(10,11)12/h1-3H,(H,10,11,12)
InChI Key:
PQFRQZCBKYMUBY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc(s2)S(=O)(=O)O

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.882g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.137g/mol
Monoisotopic Mass:
292.882g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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