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122994-69-8 | Oxazole, 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-
CAS No: 122994-69-8 Catalog No: AG000JVR MDL No:MFCD08457265
Product Description
Catalog Number:
AG000JVR
Chemical Name:
Oxazole, 4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-
CAS Number:
122994-69-8
Molecular Formula:
C12H12ClNO2
Molecular Weight:
237.6822
MDL Number:
MFCD08457265
IUPAC Name:
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
InChI:
InChI=1S/C12H12ClNO2/c1-8-11(7-13)14-12(16-8)9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3
InChI Key:
LCZPNWWYXZSYJO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(c(o1)C)CCl
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.683g/mol
Monoisotopic Mass:
237.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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