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85742-59-2 | Urea, N'-[3-(2-benzoxazolyloxy)phenyl]-N,N-dimethyl-
CAS No: 85742-59-2 Catalog No: AG004P4O MDL No:
Product Description
Catalog Number:
AG004P4O
Chemical Name:
Urea, N'-[3-(2-benzoxazolyloxy)phenyl]-N,N-dimethyl-
CAS Number:
85742-59-2
Molecular Formula:
C16H15N3O3
Molecular Weight:
297.3086
IUPAC Name:
3-[3-(1,3-benzoxazol-2-yloxy)phenyl]-1,1-dimethylurea
InChI:
InChI=1S/C16H15N3O3/c1-19(2)15(20)17-11-6-5-7-12(10-11)21-16-18-13-8-3-4-9-14(13)22-16/h3-10H,1-2H3,(H,17,20)
InChI Key:
MCTAWUNJOADYQJ-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Nc1cccc(c1)Oc1nc2c(o1)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.314g/mol
Monoisotopic Mass:
297.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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