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1214366-88-7 | Benzoic acid, 3-chloro-5-(trifluoromethyl)-, ethyl ester
CAS No: 1214366-88-7 Catalog No: AG0014WG MDL No:MFCD14698205
Product Description
Catalog Number:
AG0014WG
Chemical Name:
Benzoic acid, 3-chloro-5-(trifluoromethyl)-, ethyl ester
CAS Number:
1214366-88-7
Molecular Formula:
C10H8ClF3O2
Molecular Weight:
252.6175
MDL Number:
MFCD14698205
IUPAC Name:
ethyl 3-chloro-5-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H8ClF3O2/c1-2-16-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,2H2,1H3
InChI Key:
CJYIMOZQWMRYLA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)cc(c1)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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