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Home > Bromides > 1226808-74-7
1226808-74-7 | 2-Benzothiazolesulfonic acid, 4-bromo-6-chloro-
CAS No: 1226808-74-7 Catalog No: AG0017MZ MDL No:MFCD16295093
Product Description
Catalog Number:
AG0017MZ
Chemical Name:
2-Benzothiazolesulfonic acid, 4-bromo-6-chloro-
CAS Number:
1226808-74-7
Molecular Formula:
C7H3BrClNO3S2
Molecular Weight:
328.5906
MDL Number:
MFCD16295093
IUPAC Name:
4-bromo-6-chloro-1,3-benzothiazole-2-sulfonic acid
InChI:
InChI=1S/C7H3BrClNO3S2/c8-4-1-3(9)2-5-6(4)10-7(14-5)15(11,12)13/h1-2H,(H,11,12,13)
InChI Key:
GQWSIKFJVYXVCT-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c2c(c1)sc(n2)S(=O)(=O)O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.843g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.579g/mol
Monoisotopic Mass:
326.843g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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