Home Fluorides 146781-23-9
146781-23-9,MFCD04112525
Catalog No.:AA001E92
146781-23-9 | Benzoic acid, 2,5-difluoro-4-hydroxy-
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1g
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Technical Information
Catalog Number:
AA001E92
Chemical Name:
Benzoic acid, 2,5-difluoro-4-hydroxy-
CAS Number:
146781-23-9
Molecular Formula:
C7H4F2O3
Molecular Weight:
174.1017
MDL Number:
MFCD04112525
IUPAC Name:
2,5-difluoro-4-hydroxybenzoic acid
InChI:
InChI=1S/C7H4F2O3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10H,(H,11,12)
InChI Key:
LKJAHLFAORUKHO-UHFFFAOYSA-N
SMILES:
Fc1cc(C(=O)O)c(cc1O)F
Properties
Computed Properties
 
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.013g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.103g/mol
Monoisotopic Mass:
174.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
2,5-difluoro-4-hydroxybenzoic acid 
146781-23-9 
AKOS016038577 
Benzoic acid, 2,5-difluoro-4-hydroxy- 
ACMC-20n4y9 
SCHEMBL4367594 
CTK0B2316 
DTXSID60630620 
LKJAHLFAORUKHO-UHFFFAOYSA-N 
ZINC2526729 
MFCD04112525 
Literature
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