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1501136-58-8 | Pyrimidine, 2,5-dichloro-4-[(3-chlorophenyl)methoxy]-
CAS No: 1501136-58-8 Catalog No: AG01F8BD MDL No:
Product Description
Catalog Number:
AG01F8BD
Chemical Name:
Pyrimidine, 2,5-dichloro-4-[(3-chlorophenyl)methoxy]-
CAS Number:
1501136-58-8
Molecular Formula:
C11H7Cl3N2O
Molecular Weight:
289.5451
IUPAC Name:
2,5-dichloro-4-[(3-chlorophenyl)methoxy]pyrimidine
InChI:
InChI=1S/C11H7Cl3N2O/c12-8-3-1-2-7(4-8)6-17-10-9(13)5-15-11(14)16-10/h1-5H,6H2
InChI Key:
UNXIEHHDOYMZJV-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COc1nc(Cl)ncc1Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.962g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.54g/mol
Monoisotopic Mass:
287.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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