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Home > Aldehydes > 918108-09-5
918108-09-5 | Benzaldehyde, 3-[(5-chloro-3-oxo-2(3H)-isothiazolyl)methyl]-
CAS No: 918108-09-5 Catalog No: AG0069YI MDL No:
Product Description
Catalog Number:
AG0069YI
Chemical Name:
Benzaldehyde, 3-[(5-chloro-3-oxo-2(3H)-isothiazolyl)methyl]-
CAS Number:
918108-09-5
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
IUPAC Name:
3-[(5-chloro-3-oxo-1,2-thiazol-2-yl)methyl]benzaldehyde
InChI:
InChI=1S/C11H8ClNO2S/c12-10-5-11(15)13(16-10)6-8-2-1-3-9(4-8)7-14/h1-5,7H,6H2
InChI Key:
CWMFKTYDZNLHGL-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Cn1sc(cc1=O)Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.7g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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