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927654-20-4

927654-20-4 | Benzoxazole, 2-(2-benzoxazolylmethylene)-3-ethyl-2,3-dihydro-

CAS No: 927654-20-4 Catalog No: AG006E1B MDL No:

Product Description

Catalog Number:
AG006E1B
Chemical Name:
Benzoxazole, 2-(2-benzoxazolylmethylene)-3-ethyl-2,3-dihydro-
CAS Number:
927654-20-4
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
2-(1,3-benzoxazol-2-ylmethylidene)-3-ethyl-1,3-benzoxazole
InChI:
InChI=1S/C17H14N2O2/c1-2-19-13-8-4-6-10-15(13)21-17(19)11-16-18-12-7-3-5-9-14(12)20-16/h3-11H,2H2,1H3
InChI Key:
LVTCZCWVDXPCIC-UHFFFAOYSA-N
SMILES:
CCn1c(=Cc2oc3c(n2)cccc3)oc2c1cccc2

Properties

Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.1  

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