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773134-90-0 | Ethyl 2,3,6-trifluorobenzoate
CAS No: 773134-90-0 Catalog No: AG01FF82 MDL No:MFCD06204406
Product Description
Catalog Number:
AG01FF82
Chemical Name:
Ethyl 2,3,6-trifluorobenzoate
CAS Number:
773134-90-0
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD06204406
IUPAC Name:
ethyl 2,3,6-trifluorobenzoate
InChI:
InChI=1S/C9H7F3O2/c1-2-14-9(13)7-5(10)3-4-6(11)8(7)12/h3-4H,2H2,1H3
InChI Key:
KTSYUGKWNTYIGK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)ccc(c1F)F
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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