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91804-56-7 | 5-Phenylbenzo[d]thiazole
CAS No: 91804-56-7 Catalog No: AG0069Z4 MDL No:MFCD02947235
Product Description
Catalog Number:
AG0069Z4
Chemical Name:
5-Phenylbenzo[d]thiazole
CAS Number:
91804-56-7
Molecular Formula:
C13H9NS
Molecular Weight:
211.2823
MDL Number:
MFCD02947235
IUPAC Name:
5-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C13H9NS/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)14-9-15-13/h1-9H
InChI Key:
AAKPXIJKSNGOCO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc2c(c1)ncs2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.282g/mol
Monoisotopic Mass:
211.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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