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14483-57-9 | 4-Isoxazolecarboxylic acid, 3-(2-chloro-3-thienyl)-5-methyl-
CAS No: 14483-57-9 Catalog No: AG001K81 MDL No:
Product Description
Catalog Number:
AG001K81
Chemical Name:
4-Isoxazolecarboxylic acid, 3-(2-chloro-3-thienyl)-5-methyl-
CAS Number:
14483-57-9
Molecular Formula:
C9H6ClNO3S
Molecular Weight:
243.6668
IUPAC Name:
3-(2-chlorothiophen-3-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C9H6ClNO3S/c1-4-6(9(12)13)7(11-14-4)5-2-3-15-8(5)10/h2-3H,1H3,(H,12,13)
InChI Key:
PJPKUIGUNDJSLO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)onc1c1ccsc1Cl
EC Number:
238-482-1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.661g/mol
Monoisotopic Mass:
242.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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