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89723-92-2 | 4-Oxazolemethanol, 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-
CAS No: 89723-92-2 Catalog No: AG0042CV MDL No:
Product Description
Catalog Number:
AG0042CV
Chemical Name:
4-Oxazolemethanol, 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-
CAS Number:
89723-92-2
Molecular Formula:
C13H12ClNO2
Molecular Weight:
249.6929
IUPAC Name:
[2-[2-(2-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C13H12ClNO2/c1-9-12(8-16)15-13(17-9)7-6-10-4-2-3-5-11(10)14/h2-7,16H,8H2,1H3
InChI Key:
RDYXZSZAEBDIIG-UHFFFAOYSA-N
SMILES:
OCc1nc(oc1C)C=Cc1ccccc1Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.694g/mol
Monoisotopic Mass:
249.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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