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1697332-87-8 | 4-chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1697332-87-8 Catalog No: AG01C8LI MDL No:MFCD31443154
Product Description
Catalog Number:
AG01C8LI
Chemical Name:
4-chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1697332-87-8
Molecular Formula:
C8H9ClN2O3S
Molecular Weight:
248.6867
MDL Number:
MFCD31443154
IUPAC Name:
4-chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C8H9ClN2O3S/c9-7-6(3-12)15-8(10-7)11-1-4(13)5(14)2-11/h3-5,13-14H,1-2H2
InChI Key:
OWBZHZSKUMTRFC-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CC(C(C1)O)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.681g/mol
Monoisotopic Mass:
248.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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