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80887-20-3 | 3,5-Isoxazoledicarbonyldichloride
CAS No: 80887-20-3 Catalog No: AG008LMD MDL No:
Product Description
Catalog Number:
AG008LMD
Chemical Name:
3,5-Isoxazoledicarbonyldichloride
CAS Number:
80887-20-3
Molecular Formula:
C5HCl2NO3
Molecular Weight:
193.9723
IUPAC Name:
1,2-oxazole-3,5-dicarbonyl chloride
InChI:
InChI=1S/C5HCl2NO3/c6-4(9)2-1-3(5(7)10)11-8-2/h1H
InChI Key:
BTAZTUZCVOPGQQ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1onc(c1)C(=O)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.967g/mol
Monoisotopic Mass:
192.933g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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