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Home > Fluorides > 123843-65-2
123843-65-2 | Benzoic acid, 2,6-difluoro-4-methoxy-
CAS No: 123843-65-2 Catalog No: AG000L5T MDL No:MFCD02949623
Product Description
Catalog Number:
AG000L5T
Chemical Name:
Benzoic acid, 2,6-difluoro-4-methoxy-
CAS Number:
123843-65-2
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
MDL Number:
MFCD02949623
IUPAC Name:
2,6-difluoro-4-methoxybenzoic acid
InChI:
InChI=1S/C8H6F2O3/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H,11,12)
InChI Key:
LGHVYSAINQRZJQ-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(c(c1)F)C(=O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.13g/mol
Monoisotopic Mass:
188.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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