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89567-06-6 | Ethyl 2-(chloromethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CAS No: 89567-06-6 Catalog No: AG003Y5O MDL No:MFCD03658018
Product Description
Catalog Number:
AG003Y5O
Chemical Name:
Ethyl 2-(chloromethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CAS Number:
89567-06-6
Molecular Formula:
C11H11ClN2O3S
Molecular Weight:
286.7346
MDL Number:
MFCD03658018
IUPAC Name:
ethyl 2-(chloromethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C11H11ClN2O3S/c1-3-17-11(16)8-5(2)7-9(15)13-6(4-12)14-10(7)18-8/h3-4H2,1-2H3,(H,13,14,15)
InChI Key:
NDYRHNGDLDUAFF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)CCl
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.73g/mol
Monoisotopic Mass:
286.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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