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Home > Aldehydes > 1449503-98-3
1449503-98-3 | 4-CHLORO-2-(3-HYDROXYPYRROLIDIN-1-YL)-1,3-THIAZOLE-5-CARBALDEHYDE
CAS No: 1449503-98-3 Catalog No: AG01C8KG MDL No:MFCD23967869
Product Description
Catalog Number:
AG01C8KG
Chemical Name:
4-CHLORO-2-(3-HYDROXYPYRROLIDIN-1-YL)-1,3-THIAZOLE-5-CARBALDEHYDE
CAS Number:
1449503-98-3
Molecular Formula:
C8H9ClN2O2S
Molecular Weight:
232.6873
MDL Number:
MFCD23967869
IUPAC Name:
4-chloro-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C8H9ClN2O2S/c9-7-6(4-12)14-8(10-7)11-2-1-5(13)3-11/h4-5,13H,1-3H2
InChI Key:
JNBGNSUQTOYRQB-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CCC(C1)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.682g/mol
Monoisotopic Mass:
232.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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