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423768-48-3 | 3-METHYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4-ISOXAZOLECARBONYL CHLORIDE
CAS No: 423768-48-3 Catalog No: AG00C08B MDL No:MFCD03407334
Product Description
Catalog Number:
AG00C08B
Chemical Name:
3-METHYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4-ISOXAZOLECARBONYL CHLORIDE
CAS Number:
423768-48-3
Molecular Formula:
C8H6ClN3O2S
Molecular Weight:
243.6701
MDL Number:
MFCD03407334
IUPAC Name:
3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C8H6ClN3O2S/c1-3-5(8(9)13)6(14-11-3)7-4(2)10-12-15-7/h1-2H3
InChI Key:
DXNHDDQNUFULTA-UHFFFAOYSA-N
SMILES:
Cc1nnsc1c1onc(c1C(=O)Cl)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.987g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.665g/mol
Monoisotopic Mass:
242.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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