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1295516-49-2 | 5-Pyrimidinepropanoic acid, 4,6-dichloro-β-methyl-, methyl ester
CAS No: 1295516-49-2 Catalog No: AG000Z7I MDL No:MFCD27943097
Product Description
Catalog Number:
AG000Z7I
Chemical Name:
5-Pyrimidinepropanoic acid, 4,6-dichloro-β-methyl-, methyl ester
CAS Number:
1295516-49-2
Molecular Formula:
C9H10Cl2N2O2
Molecular Weight:
249.0939
MDL Number:
MFCD27943097
IUPAC Name:
methyl 3-(4,6-dichloropyrimidin-5-yl)butanoate
InChI:
InChI=1S/C9H10Cl2N2O2/c1-5(3-6(14)15-2)7-8(10)12-4-13-9(7)11/h4-5H,3H2,1-2H3
InChI Key:
BKTSPYPORGPMQE-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1c(Cl)ncnc1Cl)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.091g/mol
Monoisotopic Mass:
248.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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