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861210-66-4 | 3-(2-methyl-1,3-benzoxazol-6-yl)-1-(4-methylphenyl)urea
CAS No: 861210-66-4 Catalog No: AG00ISFB MDL No:MFCD03848431
Product Description
Catalog Number:
AG00ISFB
Chemical Name:
3-(2-methyl-1,3-benzoxazol-6-yl)-1-(4-methylphenyl)urea
CAS Number:
861210-66-4
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
MDL Number:
MFCD03848431
IUPAC Name:
1-(2-methyl-1,3-benzoxazol-6-yl)-3-(4-methylphenyl)urea
InChI:
InChI=1S/C16H15N3O2/c1-10-3-5-12(6-4-10)18-16(20)19-13-7-8-14-15(9-13)21-11(2)17-14/h3-9H,1-2H3,(H2,18,19,20)
InChI Key:
UWQAHKAXWUNLEZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)oc(n2)C)Nc1ccc(cc1)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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