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1225229-97-9 | Benzothiazole, 2-bromo-6-octyl-
CAS No: 1225229-97-9 Catalog No: AG0017D4 MDL No:
Product Description
Catalog Number:
AG0017D4
Chemical Name:
Benzothiazole, 2-bromo-6-octyl-
CAS Number:
1225229-97-9
Molecular Formula:
C15H20BrNS
Molecular Weight:
326.2950
IUPAC Name:
2-bromo-6-octyl-1,3-benzothiazole
InChI:
InChI=1S/C15H20BrNS/c1-2-3-4-5-6-7-8-12-9-10-13-14(11-12)18-15(16)17-13/h9-11H,2-8H2,1H3
InChI Key:
JJYHMNIWMFONEJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc2c(c1)sc(n2)Br
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.05g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.296g/mol
Monoisotopic Mass:
325.05g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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