Home Halogens 4,6-dichloro-2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde

4,6-dichloro-2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde

CAS No.:
1206969-28-9
Catalog Number:
AG00HFLE
Molecular Formula:
C9H9Cl2N3O
Molecular Weight:
246.0933
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Product Description
Catalog Number:
AG00HFLE
Chemical Name:
4,6-dichloro-2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
CAS Number:
1206969-28-9
Molecular Formula:
C9H9Cl2N3O
Molecular Weight:
246.0933
MDL Number:
MFCD14585355
IUPAC Name:
4,6-dichloro-2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H9Cl2N3O/c10-7-6(5-15)8(11)13-9(12-7)14-3-1-2-4-14/h5H,1-4H2
InChI Key:
QPQPNBHOKOYKQT-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)nc(nc1Cl)N1CCCC1
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.091g/mol
Monoisotopic Mass:
245.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties