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27794-03-2 | Pyrimidine, 2-chloro-5-(4-methoxyphenyl)-
CAS No: 27794-03-2 Catalog No: AG002URF MDL No:MFCD03426059
Product Description
Catalog Number:
AG002URF
Chemical Name:
Pyrimidine, 2-chloro-5-(4-methoxyphenyl)-
CAS Number:
27794-03-2
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
MDL Number:
MFCD03426059
IUPAC Name:
2-chloro-5-(4-methoxyphenyl)pyrimidine
InChI:
InChI=1S/C11H9ClN2O/c1-15-10-4-2-8(3-5-10)9-6-13-11(12)14-7-9/h2-7H,1H3
InChI Key:
XASJMEVESBZEOO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(nc1)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.656g/mol
Monoisotopic Mass:
220.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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