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Home > Bromides > 1229186-65-5
1229186-65-5 | Pyrimidine, 5-bromo-2-chloro-4-(3-methoxyphenoxy)-
CAS No: 1229186-65-5 Catalog No: AG000JRK MDL No:
Product Description
Catalog Number:
AG000JRK
Chemical Name:
Pyrimidine, 5-bromo-2-chloro-4-(3-methoxyphenoxy)-
CAS Number:
1229186-65-5
Molecular Formula:
C11H8BrClN2O2
Molecular Weight:
315.5504
IUPAC Name:
5-bromo-2-chloro-4-(3-methoxyphenoxy)pyrimidine
InChI:
InChI=1S/C11H8BrClN2O2/c1-16-7-3-2-4-8(5-7)17-10-9(12)6-14-11(13)15-10/h2-6H,1H3
InChI Key:
QEYLGTXPDCUQAG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Oc1nc(Cl)ncc1Br
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.551g/mol
Monoisotopic Mass:
313.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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