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1858653-67-4 | 4-chloro-6-(3-hydroxy-3-methylazetidin-1-yl)pyrimidine-5-carbaldehyde
CAS No: 1858653-67-4 Catalog No: AG01C8V5 MDL No:MFCD31443309
Product Description
Catalog Number:
AG01C8V5
Chemical Name:
4-chloro-6-(3-hydroxy-3-methylazetidin-1-yl)pyrimidine-5-carbaldehyde
CAS Number:
1858653-67-4
Molecular Formula:
C9H10ClN3O2
Molecular Weight:
227.6476
MDL Number:
MFCD31443309
IUPAC Name:
4-chloro-6-(3-hydroxy-3-methylazetidin-1-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H10ClN3O2/c1-9(15)3-13(4-9)8-6(2-14)7(10)11-5-12-8/h2,5,15H,3-4H2,1H3
InChI Key:
XVQXMIGPPXSVFE-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1Cl)N1CC(C1)(C)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.648g/mol
Monoisotopic Mass:
227.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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