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89392-03-0 | Phenyl (4,6-dimethoxypyrimidin-2-yl)carbamate
CAS No: 89392-03-0 Catalog No: AG003KJM MDL No:MFCD02947731
Product Description
Catalog Number:
AG003KJM
Chemical Name:
Phenyl (4,6-dimethoxypyrimidin-2-yl)carbamate
CAS Number:
89392-03-0
Molecular Formula:
C13H13N3O4
Molecular Weight:
275.2600
MDL Number:
MFCD02947731
IUPAC Name:
phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
InChI:
InChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
InChI Key:
MESPVSMSORHLAX-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)NC(=O)Oc1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.264g/mol
Monoisotopic Mass:
275.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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