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288401-44-5 | Phenol, 2,4-dichloro-6-(5-isoxazolyl)-
CAS No: 288401-44-5 Catalog No: AG002WS5 MDL No:MFCD00799518
Product Description
Catalog Number:
AG002WS5
Chemical Name:
Phenol, 2,4-dichloro-6-(5-isoxazolyl)-
CAS Number:
288401-44-5
Molecular Formula:
C9H5Cl2NO2
Molecular Weight:
230.0475
MDL Number:
MFCD00799518
IUPAC Name:
2,4-dichloro-6-(1,2-oxazol-5-yl)phenol
InChI:
InChI=1S/C9H5Cl2NO2/c10-5-3-6(8-1-2-12-14-8)9(13)7(11)4-5/h1-4,13H
InChI Key:
NWTXPEMLVWSELN-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)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:
228.97g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.044g/mol
Monoisotopic Mass:
228.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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