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35629-53-9 | 1-naphthalen-1-yl-3-(1,3-oxazol-2-yl)urea
CAS No: 35629-53-9 Catalog No: AG0079ZI MDL No:
Product Description
Catalog Number:
AG0079ZI
Chemical Name:
1-naphthalen-1-yl-3-(1,3-oxazol-2-yl)urea
CAS Number:
35629-53-9
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
1-naphthalen-1-yl-3-(1,3-oxazol-2-yl)urea
InChI:
InChI=1S/C14H11N3O2/c18-13(17-14-15-8-9-19-14)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H2,15,16,17,18)
InChI Key:
FUXRTZDPTASCKV-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1cccc2)Nc1ncco1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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