Home Halogens Phenol, 2,4-dibromo-6-(5-isoxazolyl)-

Phenol, 2,4-dibromo-6-(5-isoxazolyl)-

CAS No.:
288401-34-3
Catalog Number:
AG002WSB
Molecular Formula:
C9H5Br2NO2
Molecular Weight:
318.9495
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Product Description
Catalog Number:
AG002WSB
Chemical Name:
Phenol, 2,4-dibromo-6-(5-isoxazolyl)-
CAS Number:
288401-34-3
Molecular Formula:
C9H5Br2NO2
Molecular Weight:
318.9495
MDL Number:
MFCD09261050
IUPAC Name:
2,4-dibromo-6-(1,2-oxazol-5-yl)phenol
InChI:
InChI=1S/C9H5Br2NO2/c10-5-3-6(8-1-2-12-14-8)9(13)7(11)4-5/h1-4,13H
InChI Key:
XUMHJJXHJNIEFC-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)c1ccno1)O
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.867g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
318.952g/mol
Monoisotopic Mass:
316.869g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties