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78451-14-6 | Ethyl 2-chloro-4-(trifluoromethyl);oxazole-5-carboxylate
CAS No: 78451-14-6 Catalog No: AG00539U MDL No:MFCD09953545
Product Description
Catalog Number:
AG00539U
Chemical Name:
Ethyl 2-chloro-4-(trifluoromethyl);oxazole-5-carboxylate
CAS Number:
78451-14-6
Molecular Formula:
C7H5ClF3NO3
Molecular Weight:
243.5677
MDL Number:
MFCD09953545
IUPAC Name:
ethyl 2-chloro-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
InChI:
InChI=1S/C7H5ClF3NO3/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
InChI Key:
FDXRMXXUIRNASG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc(nc1C(F)(F)F)Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.566g/mol
Monoisotopic Mass:
242.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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