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1192018-64-6

1192018-64-6 | Benzoxazole, 5-ethyl-2-(4-pyridinyl)-

CAS No: 1192018-64-6 Catalog No: AG000P6F MDL No:

Product Description

Catalog Number:
AG000P6F
Chemical Name:
Benzoxazole, 5-ethyl-2-(4-pyridinyl)-
CAS Number:
1192018-64-6
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
5-ethyl-2-pyridin-4-yl-1,3-benzoxazole
InChI:
InChI=1S/C14H12N2O/c1-2-10-3-4-13-12(9-10)16-14(17-13)11-5-7-15-8-6-11/h3-9H,2H2,1H3
InChI Key:
XUCOWWFKRJSGPF-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)nc(o2)c1ccncc1

Properties

Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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