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368869-89-0

368869-89-0 | 3-Isoxazolecarbonylchloride, 5-(2-methyl-4-thiazolyl)-

CAS No: 368869-89-0 Catalog No: AG0077NX MDL No:

Product Description

Catalog Number:
AG0077NX
Chemical Name:
3-Isoxazolecarbonylchloride, 5-(2-methyl-4-thiazolyl)-
CAS Number:
368869-89-0
Molecular Formula:
C8H5ClN2O2S
Molecular Weight:
228.6555
IUPAC Name:
5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride
InChI:
InChI=1S/C8H5ClN2O2S/c1-4-10-6(3-14-4)7-2-5(8(9)12)11-13-7/h2-3H,1H3
InChI Key:
ZMLLGBGFTHPMID-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1onc(c1)C(=O)Cl

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.976g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.65g/mol
Monoisotopic Mass:
227.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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