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Home > Aldehydes > 1536020-09-3
1536020-09-3 | 4-CHLORO-2-(1,4-OXAZEPAN-4-YL)-1,3-THIAZOLE-5-CARBALDEHYDE
CAS No: 1536020-09-3 Catalog No: AG01C8LG MDL No:MFCD23967872
Product Description
Catalog Number:
AG01C8LG
Chemical Name:
4-CHLORO-2-(1,4-OXAZEPAN-4-YL)-1,3-THIAZOLE-5-CARBALDEHYDE
CAS Number:
1536020-09-3
Molecular Formula:
C9H11ClN2O2S
Molecular Weight:
246.7138
MDL Number:
MFCD23967872
IUPAC Name:
4-chloro-2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H11ClN2O2S/c10-8-7(6-13)15-9(11-8)12-2-1-4-14-5-3-12/h6H,1-5H2
InChI Key:
XBEOBGVOSREFMF-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CCOCCC1
Properties
Complexity:
232
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:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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