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849766-12-7 | Benzoxazole, 5-methyl-2-[2-(5-methyl-2-benzothiazolyl)ethenyl]-
CAS No: 849766-12-7 Catalog No: AG004QJP MDL No:
Product Description
Catalog Number:
AG004QJP
Chemical Name:
Benzoxazole, 5-methyl-2-[2-(5-methyl-2-benzothiazolyl)ethenyl]-
CAS Number:
849766-12-7
Molecular Formula:
C18H14N2OS
Molecular Weight:
306.3816
IUPAC Name:
5-methyl-2-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-benzoxazole
InChI:
InChI=1S/C18H14N2OS/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3
InChI Key:
BOLWQAUYEYVBDS-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(o2)C=Cc1nc2c(s1)ccc(c2)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.383g/mol
Monoisotopic Mass:
306.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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