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1242303-21-4 | Benzothiazole, 2-(3-chlorophenyl)-5-Methyl-
CAS No: 1242303-21-4 Catalog No: AG000LPI MDL No:
Product Description
Catalog Number:
AG000LPI
Chemical Name:
Benzothiazole, 2-(3-chlorophenyl)-5-Methyl-
CAS Number:
1242303-21-4
Molecular Formula:
C14H10ClNS
Molecular Weight:
259.7539
IUPAC Name:
2-(3-chlorophenyl)-5-methyl-1,3-benzothiazole
InChI:
InChI=1S/C14H10ClNS/c1-9-5-6-13-12(7-9)16-14(17-13)10-3-2-4-11(15)8-10/h2-8H,1H3
InChI Key:
BCUURVXFWQKKKY-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(s2)c1cccc(c1)Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.751g/mol
Monoisotopic Mass:
259.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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