Home Nitriles 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetonitrile

2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetonitrile

CAS No.:
949980-19-2
Catalog Number:
AG019KUU
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
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Product Description
Catalog Number:
AG019KUU
Chemical Name:
2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetonitrile
CAS Number:
949980-19-2
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD09802058
IUPAC Name:
2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetonitrile
InChI:
InChI=1S/C12H10N2O2/c1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12/h2-5,8H,6H2,1H3
InChI Key:
CNVPQEBXMWYNIP-UHFFFAOYSA-N
SMILES:
N#CCc1coc(n1)c1ccc(cc1)OC
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties