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1023817-07-3 | 3-(5-(4-methylphenyl)-1,3-oxazol-2-yl)propanoyl chloride
CAS No: 1023817-07-3 Catalog No: AG0166XX MDL No:
Product Description
Catalog Number:
AG0166XX
Chemical Name:
3-(5-(4-methylphenyl)-1,3-oxazol-2-yl)propanoyl chloride
CAS Number:
1023817-07-3
Molecular Formula:
C13H12ClNO2
Molecular Weight:
249.6929
IUPAC Name:
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl chloride
InChI:
InChI=1S/C13H12ClNO2/c1-9-2-4-10(5-3-9)11-8-15-13(17-11)7-6-12(14)16/h2-5,8H,6-7H2,1H3
InChI Key:
MZQTUIYLNHYTSS-UHFFFAOYSA-N
SMILES:
ClC(=O)CCc1ncc(o1)c1ccc(cc1)C
Properties
Complexity:
264
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:
0
Isotope Atom Count:
0
Molecular Weight:
249.694g/mol
Monoisotopic Mass:
249.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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