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Home > Fluorides > 1003709-67-8
1003709-67-8 | Benzoic acid, 2,3,5-trifluoro-4-methoxy-
CAS No: 1003709-67-8 Catalog No: AG0001RX MDL No:MFCD06797838
Product Description
Catalog Number:
AG0001RX
Chemical Name:
Benzoic acid, 2,3,5-trifluoro-4-methoxy-
CAS Number:
1003709-67-8
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD06797838
IUPAC Name:
2,3,5-trifluoro-4-methoxybenzoic acid
InChI:
InChI=1S/C8H5F3O3/c1-14-7-4(9)2-3(8(12)13)5(10)6(7)11/h2H,1H3,(H,12,13)
InChI Key:
SGQBBRRGMRJQPE-UHFFFAOYSA-N
SMILES:
COc1c(F)cc(c(c1F)F)C(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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