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278597-30-1 | 4-Isoxazolemethanol, 3-(2,6-dichlorophenyl)-5-(1-methylethyl)-
CAS No: 278597-30-1 Catalog No: AG002UYM MDL No:
Product Description
Catalog Number:
AG002UYM
Chemical Name:
4-Isoxazolemethanol, 3-(2,6-dichlorophenyl)-5-(1-methylethyl)-
CAS Number:
278597-30-1
Molecular Formula:
C13H13Cl2NO2
Molecular Weight:
286.1538
IUPAC Name:
[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methanol
InChI:
InChI=1S/C13H13Cl2NO2/c1-7(2)13-8(6-17)12(16-18-13)11-9(14)4-3-5-10(11)15/h3-5,7,17H,6H2,1-2H3
InChI Key:
QKFSDLYZZTWMQG-UHFFFAOYSA-N
SMILES:
OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.152g/mol
Monoisotopic Mass:
285.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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