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1858459-80-9 | 4-chloro-6-(3-hydroxyazetidin-1-yl)pyrimidine-5-carbaldehyde
CAS No: 1858459-80-9 Catalog No: AG01C8TY MDL No:MFCD31443273
Product Description
Catalog Number:
AG01C8TY
Chemical Name:
4-chloro-6-(3-hydroxyazetidin-1-yl)pyrimidine-5-carbaldehyde
CAS Number:
1858459-80-9
Molecular Formula:
C8H8ClN3O2
Molecular Weight:
213.6210
MDL Number:
MFCD31443273
IUPAC Name:
4-chloro-6-(3-hydroxyazetidin-1-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C8H8ClN3O2/c9-7-6(3-13)8(11-4-10-7)12-1-5(14)2-12/h3-5,14H,1-2H2
InChI Key:
RNGHCRPIHWAZDL-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1Cl)N1CC(C1)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.621g/mol
Monoisotopic Mass:
213.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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