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Home > Aldehydes > 1852542-49-4
1852542-49-4 | 4-chloro-2-(3-hydroxy-4-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1852542-49-4 Catalog No: AG01C8X3 MDL No:MFCD31443366
Product Description
Catalog Number:
AG01C8X3
Chemical Name:
4-chloro-2-(3-hydroxy-4-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1852542-49-4
Molecular Formula:
C9H11ClN2O2S
Molecular Weight:
246.7138
MDL Number:
MFCD31443366
IUPAC Name:
4-chloro-2-(3-hydroxy-4-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H11ClN2O2S/c1-5-2-12(3-6(5)14)9-11-8(10)7(4-13)15-9/h4-6,14H,2-3H2,1H3
InChI Key:
YYAWETFNOHPQAP-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CC(C(C1)C)O
Properties
Complexity:
256
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:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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