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202597-90-8 | Urea, N-(4,5-dihydro-3,5-dimethyl-5-isoxazolyl)-N'-phenyl-
CAS No: 202597-90-8 Catalog No: AG0028B8 MDL No:
Product Description
Catalog Number:
AG0028B8
Chemical Name:
Urea, N-(4,5-dihydro-3,5-dimethyl-5-isoxazolyl)-N'-phenyl-
CAS Number:
202597-90-8
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
1-(3,5-dimethyl-4H-1,2-oxazol-5-yl)-3-phenylurea
InChI:
InChI=1S/C12H15N3O2/c1-9-8-12(2,17-15-9)14-11(16)13-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,13,14,16)
InChI Key:
JGEPQFSKURVQRF-UHFFFAOYSA-N
SMILES:
O=C(NC1(C)ON=C(C1)C)Nc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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