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54503-92-3 | 4-CHLORO-6-(PYRROLIDIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 54503-92-3 Catalog No: AG01C8HQ MDL No:MFCD13874682
Product Description
Catalog Number:
AG01C8HQ
Chemical Name:
4-CHLORO-6-(PYRROLIDIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
54503-92-3
Molecular Formula:
C9H10ClN3O
Molecular Weight:
211.6482
MDL Number:
MFCD13874682
IUPAC Name:
4-chloro-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H10ClN3O/c10-8-7(5-14)9(12-6-11-8)13-3-1-2-4-13/h5-6H,1-4H2
InChI Key:
JTQRWSALJDRPAO-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1Cl)N1CCCC1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.649g/mol
Monoisotopic Mass:
211.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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