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192805-87-1 | Ethyl 2-chloro-4-(trifluoromethyl)benzoate
CAS No: 192805-87-1 Catalog No: AG01FBDX MDL No:
Product Description
Catalog Number:
AG01FBDX
Chemical Name:
Ethyl 2-chloro-4-(trifluoromethyl)benzoate
CAS Number:
192805-87-1
Molecular Formula:
C10H8ClF3O2
Molecular Weight:
252.6175
IUPAC Name:
ethyl 2-chloro-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H8ClF3O2/c1-2-16-9(15)7-4-3-6(5-8(7)11)10(12,13)14/h3-5H,2H2,1H3
InChI Key:
YEJXRKIOCTUZFG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.617g/mol
Monoisotopic Mass:
252.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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