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Home > Aldehydes > 1566874-44-9
1566874-44-9 | 4-CHLORO-2-[3-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-1,3-THIAZOLE-5-CARBALDEHYDE
CAS No: 1566874-44-9 Catalog No: AG01C8LB MDL No:MFCD26060531
Product Description
Catalog Number:
AG01C8LB
Chemical Name:
4-CHLORO-2-[3-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-1,3-THIAZOLE-5-CARBALDEHYDE
CAS Number:
1566874-44-9
Molecular Formula:
C9H11ClN2O2S
Molecular Weight:
246.7138
MDL Number:
MFCD26060531
IUPAC Name:
4-chloro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H11ClN2O2S/c10-8-7(5-14)15-9(11-8)12-2-1-6(3-12)4-13/h5-6,13H,1-4H2
InChI Key:
YVVGGPMPQWLMIL-UHFFFAOYSA-N
SMILES:
OCC1CCN(C1)c1nc(c(s1)C=O)Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.709g/mol
Monoisotopic Mass:
246.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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