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Home > Fluorides > 136897-64-8
136897-64-8 | Benzoic acid, 2,4,5-trifluoro-3-methoxy-, methyl ester
CAS No: 136897-64-8 Catalog No: AG0012JL MDL No:MFCD06658272
Product Description
Catalog Number:
AG0012JL
Chemical Name:
Benzoic acid, 2,4,5-trifluoro-3-methoxy-, methyl ester
CAS Number:
136897-64-8
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD06658272
IUPAC Name:
methyl 2,4,5-trifluoro-3-methoxybenzoate
InChI:
InChI=1S/C9H7F3O3/c1-14-8-6(11)4(9(13)15-2)3-5(10)7(8)12/h3H,1-2H3
InChI Key:
WRNVSUJHRFXTKQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1F)OC)F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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