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137090-44-9 | Oxazole, 4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-
CAS No: 137090-44-9 Catalog No: AG0012U2 MDL No:MFCD08059927
Product Description
Catalog Number:
AG0012U2
Chemical Name:
Oxazole, 4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-
CAS Number:
137090-44-9
Molecular Formula:
C12H12ClNO
Molecular Weight:
221.6828
MDL Number:
MFCD08059927
IUPAC Name:
4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole
InChI:
InChI=1S/C12H12ClNO/c1-8-3-5-10(6-4-8)12-14-11(7-13)9(2)15-12/h3-6H,7H2,1-2H3
InChI Key:
DQTOUJFUSUPWOK-UHFFFAOYSA-N
SMILES:
ClCc1nc(oc1C)c1ccc(cc1)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.684g/mol
Monoisotopic Mass:
221.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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