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102109-22-8 | 4-Oxazolecarbonitrile, 5-methoxy-2-(phenylamino)-
CAS No: 102109-22-8 Catalog No: AG0006MX MDL No:
Product Description
Catalog Number:
AG0006MX
Chemical Name:
4-Oxazolecarbonitrile, 5-methoxy-2-(phenylamino)-
CAS Number:
102109-22-8
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
IUPAC Name:
2-anilino-5-methoxy-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C11H9N3O2/c1-15-10-9(7-12)14-11(16-10)13-8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChI Key:
KWLVHBYIPUWSOP-UHFFFAOYSA-N
SMILES:
COc1oc(nc1C#N)Nc1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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