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22901-00-4 | BENZOTHIAZOLE, 2-(2-BROMOPHENYL)-
CAS No: 22901-00-4 Catalog No: AG002LFH MDL No:
Product Description
Catalog Number:
AG002LFH
Chemical Name:
BENZOTHIAZOLE, 2-(2-BROMOPHENYL)-
CAS Number:
22901-00-4
Molecular Formula:
C13H8BrNS
Molecular Weight:
290.1783
IUPAC Name:
2-(2-bromophenyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H8BrNS/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H
InChI Key:
QWRINZRJGGMRTJ-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1nc2c(s1)cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.956g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.178g/mol
Monoisotopic Mass:
288.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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