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34750-24-8 | Ethyl 4-chloro-2-(piperidin-1-yl)pyrimidine-5-carboxylate
CAS No: 34750-24-8 Catalog No: AG003Q9Y MDL No:MFCD11111793
Product Description
Catalog Number:
AG003Q9Y
Chemical Name:
Ethyl 4-chloro-2-(piperidin-1-yl)pyrimidine-5-carboxylate
CAS Number:
34750-24-8
Molecular Formula:
C12H16ClN3O2
Molecular Weight:
269.7273
MDL Number:
MFCD11111793
IUPAC Name:
ethyl 4-chloro-2-piperidin-1-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C12H16ClN3O2/c1-2-18-11(17)9-8-14-12(15-10(9)13)16-6-4-3-5-7-16/h8H,2-7H2,1H3
InChI Key:
BNEXRBHAQPGEGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1Cl)N1CCCCC1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.729g/mol
Monoisotopic Mass:
269.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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