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1048921-12-5 | 4-Chloromethyl-5-methyl-2-(3-phenoxy-phenyl)-oxazole
CAS No: 1048921-12-5 Catalog No: AG01F8E3 MDL No:
Product Description
Catalog Number:
AG01F8E3
Chemical Name:
4-Chloromethyl-5-methyl-2-(3-phenoxy-phenyl)-oxazole
CAS Number:
1048921-12-5
Molecular Formula:
C17H14ClNO2
Molecular Weight:
299.7516
IUPAC Name:
4-(chloromethyl)-5-methyl-2-(3-phenoxyphenyl)-1,3-oxazole
InChI:
InChI=1S/C17H14ClNO2/c1-12-16(11-18)19-17(20-12)13-6-5-9-15(10-13)21-14-7-3-2-4-8-14/h2-10H,11H2,1H3
InChI Key:
KXUSZUIYVYCSDB-UHFFFAOYSA-N
SMILES:
ClCc1nc(oc1C)c1cccc(c1)Oc1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.754g/mol
Monoisotopic Mass:
299.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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