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88975-05-7 | Benzothiazole, 2-[2-(4-methoxyphenyl)-1-phenylethenyl]-
CAS No: 88975-05-7 Catalog No: AG0045R4 MDL No:
Product Description
Catalog Number:
AG0045R4
Chemical Name:
Benzothiazole, 2-[2-(4-methoxyphenyl)-1-phenylethenyl]-
CAS Number:
88975-05-7
Molecular Formula:
C22H17NOS
Molecular Weight:
343.4415
IUPAC Name:
2-[2-(4-methoxyphenyl)-1-phenylethenyl]-1,3-benzothiazole
InChI:
InChI=1S/C22H17NOS/c1-24-18-13-11-16(12-14-18)15-19(17-7-3-2-4-8-17)22-23-20-9-5-6-10-21(20)25-22/h2-15H,1H3
InChI Key:
SAIWLHFVFREFNB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C(c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
451
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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