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67305-31-1 | 4-Isoxazolecarboxamide, N-(4-chloro-2-benzothiazolyl)-5-methyl-
CAS No: 67305-31-1 Catalog No: AG006IJV MDL No:
Product Description
Catalog Number:
AG006IJV
Chemical Name:
4-Isoxazolecarboxamide, N-(4-chloro-2-benzothiazolyl)-5-methyl-
CAS Number:
67305-31-1
Molecular Formula:
C12H8ClN3O2S
Molecular Weight:
293.7288
IUPAC Name:
N-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C12H8ClN3O2S/c1-6-7(5-14-18-6)11(17)16-12-15-10-8(13)3-2-4-9(10)19-12/h2-5H,1H3,(H,15,16,17)
InChI Key:
YFDJWJKEOAAFML-UHFFFAOYSA-N
SMILES:
O=C(c1cnoc1C)Nc1sc2c(n1)c(Cl)ccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.003g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.725g/mol
Monoisotopic Mass:
293.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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