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175204-38-3 | 4-Isoxazolemethanol, 3-(2,6-dichlorophenyl)-5-methyl-
CAS No: 175204-38-3 Catalog No: AG0020ME MDL No:MFCD00052550
Product Description
Catalog Number:
AG0020ME
Chemical Name:
4-Isoxazolemethanol, 3-(2,6-dichlorophenyl)-5-methyl-
CAS Number:
175204-38-3
Molecular Formula:
C11H9Cl2NO2
Molecular Weight:
258.1007
MDL Number:
MFCD00052550
IUPAC Name:
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanol
InChI:
InChI=1S/C11H9Cl2NO2/c1-6-7(5-15)11(14-16-6)10-8(12)3-2-4-9(10)13/h2-4,15H,5H2,1H3
InChI Key:
YDHHKMQOVBJACX-UHFFFAOYSA-N
SMILES:
OCc1c(C)onc1c1c(Cl)cccc1Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.098g/mol
Monoisotopic Mass:
257.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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