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1496320-74-1 | 4-CHLORO-2-(3-OXOPIPERAZIN-1-YL)-1,3-THIAZOLE-5-CARBALDEHYDE
CAS No: 1496320-74-1 Catalog No: AG01C8LA MDL No:MFCD23715383
Product Description
Catalog Number:
AG01C8LA
Chemical Name:
4-CHLORO-2-(3-OXOPIPERAZIN-1-YL)-1,3-THIAZOLE-5-CARBALDEHYDE
CAS Number:
1496320-74-1
Molecular Formula:
C8H8ClN3O2S
Molecular Weight:
245.6860
MDL Number:
MFCD23715383
IUPAC Name:
4-chloro-2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C8H8ClN3O2S/c9-7-5(4-13)15-8(11-7)12-2-1-10-6(14)3-12/h4H,1-3H2,(H,10,14)
InChI Key:
AJCHWXVLTYIMLK-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CCNC(=O)C1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.681g/mol
Monoisotopic Mass:
245.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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