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1558294-10-2 | 4-CHLORO-2-[METHYL(OXOLAN-3-YL)AMINO]-1,3-THIAZOLE-5-CARBALDEHYDE
CAS No: 1558294-10-2 Catalog No: AG01C8LH MDL No:MFCD24298824
Product Description
Catalog Number:
AG01C8LH
Chemical Name:
4-CHLORO-2-[METHYL(OXOLAN-3-YL)AMINO]-1,3-THIAZOLE-5-CARBALDEHYDE
CAS Number:
1558294-10-2
Molecular Formula:
C9H11ClN2O2S
Molecular Weight:
246.7138
MDL Number:
MFCD24298824
IUPAC Name:
4-chloro-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H11ClN2O2S/c1-12(6-2-3-14-5-6)9-11-8(10)7(4-13)15-9/h4,6H,2-3,5H2,1H3
InChI Key:
UXXDNJKQGZSHFA-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N(C1COCC1)C
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:
0
Isotope Atom Count:
0
Molecular Weight:
246.709g/mol
Monoisotopic Mass:
246.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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