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1226808-55-4 | Benzothiazole, 4-bromo-6-chloro-2-(methylthio)-
CAS No: 1226808-55-4 Catalog No: AG0017MA MDL No:MFCD16295094
Product Description
Catalog Number:
AG0017MA
Chemical Name:
Benzothiazole, 4-bromo-6-chloro-2-(methylthio)-
CAS Number:
1226808-55-4
Molecular Formula:
C8H5BrClNS2
Molecular Weight:
294.6190
MDL Number:
MFCD16295094
IUPAC Name:
4-bromo-6-chloro-2-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C8H5BrClNS2/c1-12-8-11-7-5(9)2-4(10)3-6(7)13-8/h2-3H,1H3
InChI Key:
MOSAQWDATOOVIX-UHFFFAOYSA-N
SMILES:
CSc1sc2c(n1)c(Br)cc(c2)Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.874g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.609g/mol
Monoisotopic Mass:
292.874g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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