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54503-93-4 | 4-CHLORO-6-PIPERIDINO-5-PYRIMIDINECARBALDEHYDE
CAS No: 54503-93-4 Catalog No: AG00DCPZ MDL No:MFCD08443953
Product Description
Catalog Number:
AG00DCPZ
Chemical Name:
4-CHLORO-6-PIPERIDINO-5-PYRIMIDINECARBALDEHYDE
CAS Number:
54503-93-4
Molecular Formula:
C10H12ClN3O
Molecular Weight:
225.6748
MDL Number:
MFCD08443953
IUPAC Name:
4-chloro-6-piperidin-1-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C10H12ClN3O/c11-9-8(6-15)10(13-7-12-9)14-4-2-1-3-5-14/h6-7H,1-5H2
InChI Key:
IUEHRQABKBYSDT-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1Cl)N1CCCCC1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.676g/mol
Monoisotopic Mass:
225.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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