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1215582-82-3 | Methyl 3-[(3-Chloro-2-formylphenyl)thio]propanoate
CAS No: 1215582-82-3 Catalog No: AG01F8YE MDL No:
Product Description
Catalog Number:
AG01F8YE
Chemical Name:
Methyl 3-[(3-Chloro-2-formylphenyl)thio]propanoate
CAS Number:
1215582-82-3
Molecular Formula:
C11H11ClO3S
Molecular Weight:
258.7212
IUPAC Name:
methyl 3-(3-chloro-2-formylphenyl)sulfanylpropanoate
InChI:
InChI=1S/C11H11ClO3S/c1-15-11(14)5-6-16-10-4-2-3-9(12)8(10)7-13/h2-4,7H,5-6H2,1H3
InChI Key:
IMNUQKOLXPINDO-UHFFFAOYSA-N
SMILES:
COC(=O)CCSc1cccc(c1C=O)Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.716g/mol
Monoisotopic Mass:
258.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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