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39101-02-5 | 4-(3-Methyl-isothiazol-5-yl)-benzoic acid methyl ester
CAS No: 39101-02-5 Catalog No: AG01FGY4 MDL No:
Product Description
Catalog Number:
AG01FGY4
Chemical Name:
4-(3-Methyl-isothiazol-5-yl)-benzoic acid methyl ester
CAS Number:
39101-02-5
IUPAC Name:
methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate
InChI:
InChI=1S/C12H11NO2S/c1-8-7-11(16-13-8)9-3-5-10(6-4-9)12(14)15-2/h3-7H,1-2H3
InChI Key:
GWDSEMNOINVPIX-UHFFFAOYSA-N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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