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889126-33-4 | Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate
CAS No: 889126-33-4 Catalog No: AG00496G MDL No:MFCD09743695
Product Description
Catalog Number:
AG00496G
Chemical Name:
Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate
CAS Number:
889126-33-4
Molecular Formula:
C11H14ClN3O2
Molecular Weight:
255.7008
MDL Number:
MFCD09743695
IUPAC Name:
methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate
InChI:
InChI=1S/C11H14ClN3O2/c1-17-10(16)8-3-6-15(7-4-8)9-2-5-13-11(12)14-9/h2,5,8H,3-4,6-7H2,1H3
InChI Key:
RANXPSAMFSXQAL-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)c1ccnc(n1)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.702g/mol
Monoisotopic Mass:
255.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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