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101798-15-6 | Benzothiazole, 2-(4'-chloro[1,1'-biphenyl]-4-yl)-
CAS No: 101798-15-6 Catalog No: AG0005LC MDL No:
Product Description
Catalog Number:
AG0005LC
Chemical Name:
Benzothiazole, 2-(4'-chloro[1,1'-biphenyl]-4-yl)-
CAS Number:
101798-15-6
Molecular Formula:
C19H12ClNS
Molecular Weight:
321.8233
IUPAC Name:
2-[4-(4-chlorophenyl)phenyl]-1,3-benzothiazole
InChI:
InChI=1S/C19H12ClNS/c20-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-21-17-3-1-2-4-18(17)22-19/h1-12H
InChI Key:
CWRGYPFUGCGFAH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.038g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.822g/mol
Monoisotopic Mass:
321.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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