Home Other Building Blocks 3-fluoro-2,6-dimethoxybenzoic acid

3-fluoro-2,6-dimethoxybenzoic acid

CAS No.:
52189-67-0
Catalog Number:
AG01BRMF
Molecular Formula:
C9H9FO4
Molecular Weight:
200.1638
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Product Description
Catalog Number:
AG01BRMF
Chemical Name:
3-fluoro-2,6-dimethoxybenzoic acid
CAS Number:
52189-67-0
Molecular Formula:
C9H9FO4
Molecular Weight:
200.1638
MDL Number:
MFCD24480409
IUPAC Name:
3-fluoro-2,6-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9FO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
JDFSNRMZEUTEFU-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)O)OC)F
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.165g/mol
Monoisotopic Mass:
200.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties