Home Halogens Benzothiazole, 4,7-dibromo-2-phenyl-

Benzothiazole, 4,7-dibromo-2-phenyl-

CAS No.:
1588440-95-2
Catalog Number:
AG001QWW
Molecular Formula:
C13H7Br2NS
Molecular Weight:
369.0744
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Product Description
Catalog Number:
AG001QWW
Chemical Name:
Benzothiazole, 4,7-dibromo-2-phenyl-
CAS Number:
1588440-95-2
Molecular Formula:
C13H7Br2NS
Molecular Weight:
369.0744
MDL Number:
MFCD27923419
IUPAC Name:
4,7-dibromo-2-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C13H7Br2NS/c14-9-6-7-10(15)12-11(9)16-13(17-12)8-4-2-1-3-5-8/h1-7H
InChI Key:
GRDUECATKOOADC-UHFFFAOYSA-N
SMILES:
Brc1ccc(c2c1sc(n2)c1ccccc1)Br
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.865g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.074g/mol
Monoisotopic Mass:
366.867g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties