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75706-01-3 | 4-Isoxazolecarbonylchloride, 5-(trifluoromethyl)-
CAS No: 75706-01-3 Catalog No: AG008PJN MDL No:
Product Description
Catalog Number:
AG008PJN
Chemical Name:
4-Isoxazolecarbonylchloride, 5-(trifluoromethyl)-
CAS Number:
75706-01-3
Molecular Formula:
C5HClF3NO2
Molecular Weight:
199.5151
IUPAC Name:
5-(trifluoromethyl)-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C5HClF3NO2/c6-4(11)2-1-10-12-3(2)5(7,8)9/h1H
InChI Key:
JKKHPBPDSLVAHU-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cnoc1C(F)(F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.513g/mol
Monoisotopic Mass:
198.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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