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1203546-24-0 | 4-(3-Chlorophenoxy)-2-chloropyrimidine
CAS No: 1203546-24-0 Catalog No: AG01FCK4 MDL No:
Product Description
Catalog Number:
AG01FCK4
Chemical Name:
4-(3-Chlorophenoxy)-2-chloropyrimidine
CAS Number:
1203546-24-0
Molecular Formula:
C10H6Cl2N2O
Molecular Weight:
241.0734
IUPAC Name:
2-chloro-4-(3-chlorophenoxy)pyrimidine
InChI:
InChI=1S/C10H6Cl2N2O/c11-7-2-1-3-8(6-7)15-9-4-5-13-10(12)14-9/h1-6H
InChI Key:
UCAAAJBRFPWKIW-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Oc1ccnc(n1)Cl
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.071g/mol
Monoisotopic Mass:
239.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| 2-(2-Chloro-pyrimidin-4-yl)-3,5,6,7,8,9-hexahydro-2H-1,2,4-triazolo[4,3-a]azepin-3-one. | Acta crystallographica. Section E, Structure reports online 20081001 |
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