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1694827-51-4 | 4-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1694827-51-4 Catalog No: AG01C8LD MDL No:MFCD29487025
Product Description
Catalog Number:
AG01C8LD
Chemical Name:
4-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1694827-51-4
Molecular Formula:
C9H11ClN2O2S
Molecular Weight:
246.7138
MDL Number:
MFCD29487025
IUPAC Name:
4-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H11ClN2O2S/c1-9(14)2-3-12(5-9)8-11-7(10)6(4-13)15-8/h4,14H,2-3,5H2,1H3
InChI Key:
NOOVEGWIBWKLSE-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CCC(C1)(C)O
Properties
Complexity:
269
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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