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1375457-39-8 | Pyrimidine, 2-chloro-4-(3-fluoro-4-methoxyphenyl)-5-methyl-
CAS No: 1375457-39-8 Catalog No: AG0013IY MDL No:
Product Description
Catalog Number:
AG0013IY
Chemical Name:
Pyrimidine, 2-chloro-4-(3-fluoro-4-methoxyphenyl)-5-methyl-
CAS Number:
1375457-39-8
Molecular Formula:
C12H10ClFN2O
Molecular Weight:
252.6720
IUPAC Name:
2-chloro-4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine
InChI:
InChI=1S/C12H10ClFN2O/c1-7-6-15-12(13)16-11(7)8-3-4-10(17-2)9(14)5-8/h3-6H,1-2H3
InChI Key:
JMWCWUDEGBGVJG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)c1nc(Cl)ncc1C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.673g/mol
Monoisotopic Mass:
252.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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