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90288-63-4

90288-63-4 | Isoxazole, 4-bromo-5-methyl-3-[[2-(oxiranylmethoxy)phenoxy]methyl]-

CAS No: 90288-63-4 Catalog No: AG006GNV MDL No:

Product Description

Catalog Number:
AG006GNV
Chemical Name:
Isoxazole, 4-bromo-5-methyl-3-[[2-(oxiranylmethoxy)phenoxy]methyl]-
CAS Number:
90288-63-4
Molecular Formula:
C14H14BrNO4
Molecular Weight:
340.1693
IUPAC Name:
4-bromo-5-methyl-3-[[2-(oxiran-2-ylmethoxy)phenoxy]methyl]-1,2-oxazole
InChI:
InChI=1S/C14H14BrNO4/c1-9-14(15)11(16-20-9)8-19-13-5-3-2-4-12(13)18-7-10-6-17-10/h2-5,10H,6-8H2,1H3
InChI Key:
BFCQVKQOLJPAPN-UHFFFAOYSA-N
SMILES:
Cc1onc(c1Br)COc1ccccc1OCC1CO1

Properties

Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.011g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.173g/mol
Monoisotopic Mass:
339.011g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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