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88975-04-6 | Benzothiazole, 2-[2-(2-methoxyphenyl)-1-phenylethenyl]-
CAS No: 88975-04-6 Catalog No: AG008964 MDL No:
Product Description
Catalog Number:
AG008964
Chemical Name:
Benzothiazole, 2-[2-(2-methoxyphenyl)-1-phenylethenyl]-
CAS Number:
88975-04-6
Molecular Formula:
C22H17NOS
Molecular Weight:
343.4415
IUPAC Name:
2-[2-(2-methoxyphenyl)-1-phenylethenyl]-1,3-benzothiazole
InChI:
InChI=1S/C22H17NOS/c1-24-20-13-7-5-11-17(20)15-18(16-9-3-2-4-10-16)22-23-19-12-6-8-14-21(19)25-22/h2-15H,1H3
InChI Key:
YKOQWDOUDMYVKR-UHFFFAOYSA-N
SMILES:
COc1ccccc1C=C(c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.103g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.444g/mol
Monoisotopic Mass:
343.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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