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171096-34-7 | Methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate
CAS No: 171096-34-7 Catalog No: AG01FMMJ MDL No:MFCD28388809
Product Description
Catalog Number:
AG01FMMJ
Chemical Name:
Methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate
CAS Number:
171096-34-7
Molecular Formula:
C8H9ClN2O3
Molecular Weight:
216.6217
MDL Number:
MFCD28388809
IUPAC Name:
methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate
InChI:
InChI=1S/C8H9ClN2O3/c1-13-6(12)3-5-7(9)10-4-11-8(5)14-2/h4H,3H2,1-2H3
InChI Key:
LQRCZEMNPQCPCO-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c(Cl)ncnc1OC
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.621g/mol
Monoisotopic Mass:
216.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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