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1082312-23-9 | 2-(4-chlorophenoxymethyl)-1,3-thiazole-4-carbaldehyde
CAS No: 1082312-23-9 Catalog No: AG019WJN MDL No:MFCD11587925
Product Description
Catalog Number:
AG019WJN
Chemical Name:
2-(4-chlorophenoxymethyl)-1,3-thiazole-4-carbaldehyde
CAS Number:
1082312-23-9
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
MDL Number:
MFCD11587925
IUPAC Name:
2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbaldehyde
InChI:
InChI=1S/C11H8ClNO2S/c12-8-1-3-10(4-2-8)15-6-11-13-9(5-14)7-16-11/h1-5,7H,6H2
InChI Key:
WVGLEIDTMTVAAA-UHFFFAOYSA-N
SMILES:
O=Cc1csc(n1)COc1ccc(cc1)Cl
Properties
Complexity:
234
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.7g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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