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825647-54-9 | Pyrimidine, 2,4-dichloro-6-[(4-methoxyphenyl)methyl]-
CAS No: 825647-54-9 Catalog No: AG0053LO MDL No:
Product Description
Catalog Number:
AG0053LO
Chemical Name:
Pyrimidine, 2,4-dichloro-6-[(4-methoxyphenyl)methyl]-
CAS Number:
825647-54-9
Molecular Formula:
C12H10Cl2N2O
Molecular Weight:
269.1266
IUPAC Name:
2,4-dichloro-6-[(4-methoxyphenyl)methyl]pyrimidine
InChI:
InChI=1S/C12H10Cl2N2O/c1-17-10-4-2-8(3-5-10)6-9-7-11(13)16-12(14)15-9/h2-5,7H,6H2,1H3
InChI Key:
KQYXCTMGNLENEF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1cc(Cl)nc(n1)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.125g/mol
Monoisotopic Mass:
268.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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