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Home > Aldehydes > 1861114-67-1
1861114-67-1 | 4-chloro-6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CAS No: 1861114-67-1 Catalog No: AG01C8U7 MDL No:MFCD31443281
Product Description
Catalog Number:
AG01C8U7
Chemical Name:
4-chloro-6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CAS Number:
1861114-67-1
Molecular Formula:
C9H10ClN3O2
Molecular Weight:
227.6476
MDL Number:
MFCD31443281
IUPAC Name:
4-chloro-6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H10ClN3O2/c1-5-11-8(10)7(4-14)9(12-5)13-2-6(15)3-13/h4,6,15H,2-3H2,1H3
InChI Key:
RKPQKQMQYCGJDK-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)nc(nc1N1CC(C1)O)C
Properties
Complexity:
248
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:
0.6
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