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79513-88-5 | Urea, N-(3-chlorophenyl)-N'-(2,6-dimethyl-4-pyrimidinyl)-
CAS No: 79513-88-5 Catalog No: AG0051EB MDL No:
Product Description
Catalog Number:
AG0051EB
Chemical Name:
Urea, N-(3-chlorophenyl)-N'-(2,6-dimethyl-4-pyrimidinyl)-
CAS Number:
79513-88-5
Molecular Formula:
C13H13ClN4O
Molecular Weight:
276.7215
IUPAC Name:
1-(3-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea
InChI:
InChI=1S/C13H13ClN4O/c1-8-6-12(16-9(2)15-8)18-13(19)17-11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H2,15,16,17,18,19)
InChI Key:
MCROWNRYOMASGJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(C)nc(n1)C)Nc1cccc(c1)Cl
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.724g/mol
Monoisotopic Mass:
276.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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