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827302-97-6 | Oxazole, 4-(4-chlorophenyl)-5-methyl-2-(1-methylethyl)-
CAS No: 827302-97-6 Catalog No: AG0050SJ MDL No:
Product Description
Catalog Number:
AG0050SJ
Chemical Name:
Oxazole, 4-(4-chlorophenyl)-5-methyl-2-(1-methylethyl)-
CAS Number:
827302-97-6
Molecular Formula:
C13H14ClNO
Molecular Weight:
235.7094
IUPAC Name:
4-(4-chlorophenyl)-5-methyl-2-propan-2-yl-1,3-oxazole
InChI:
InChI=1S/C13H14ClNO/c1-8(2)13-15-12(9(3)16-13)10-4-6-11(14)7-5-10/h4-8H,1-3H3
InChI Key:
MWCCFYZLNQTCAE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc(oc1C)C(C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.711g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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