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306936-71-0 | [3,5'-Biisoxazole]-4'-carbonyl chloride, 3',5-dimethyl-
CAS No: 306936-71-0 Catalog No: AG0030XF MDL No:
Product Description
Catalog Number:
AG0030XF
Chemical Name:
[3,5'-Biisoxazole]-4'-carbonyl chloride, 3',5-dimethyl-
CAS Number:
306936-71-0
Molecular Formula:
C9H7ClN2O3
Molecular Weight:
226.6165
IUPAC Name:
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C9H7ClN2O3/c1-4-3-6(12-14-4)8-7(9(10)13)5(2)11-15-8/h3H,1-2H3
InChI Key:
HDAQKYGQLNYBTQ-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)c1onc(c1C(=O)Cl)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.616g/mol
Monoisotopic Mass:
226.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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