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88045-80-1 | 2(1H)-Pyrimidinone, 5-chloro-1-[[(4-methoxyphenyl)methoxy]methyl]-
CAS No: 88045-80-1 Catalog No: AG004IXR MDL No:
Product Description
Catalog Number:
AG004IXR
Chemical Name:
2(1H)-Pyrimidinone, 5-chloro-1-[[(4-methoxyphenyl)methoxy]methyl]-
CAS Number:
88045-80-1
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
IUPAC Name:
5-chloro-1-[(4-methoxyphenyl)methoxymethyl]pyrimidin-2-one
InChI:
InChI=1S/C13H13ClN2O3/c1-18-12-4-2-10(3-5-12)8-19-9-16-7-11(14)6-15-13(16)17/h2-7H,8-9H2,1H3
InChI Key:
PJOIHSZAMRJPSZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COCn1cc(Cl)cnc1=O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.708g/mol
Monoisotopic Mass:
280.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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