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1499709-76-0 | 4-CHLORO-6-(PIPERAZIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 1499709-76-0 Catalog No: AG01C8HS MDL No:MFCD21755184
Product Description
Catalog Number:
AG01C8HS
Chemical Name:
4-CHLORO-6-(PIPERAZIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
1499709-76-0
Molecular Formula:
C9H11ClN4O
Molecular Weight:
226.6628
MDL Number:
MFCD21755184
IUPAC Name:
4-chloro-6-piperazin-1-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H11ClN4O/c10-8-7(5-15)9(13-6-12-8)14-3-1-11-2-4-14/h5-6,11H,1-4H2
InChI Key:
WZVGHMDDJUSSTG-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1Cl)N1CCNCC1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.664g/mol
Monoisotopic Mass:
226.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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