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Home > Fluorides > 146781-23-9
146781-23-9 | Benzoic acid, 2,5-difluoro-4-hydroxy-
CAS No: 146781-23-9 Catalog No: AG001EBU MDL No:
Product Description
Catalog Number:
AG001EBU
Chemical Name:
Benzoic acid, 2,5-difluoro-4-hydroxy-
CAS Number:
146781-23-9
Molecular Formula:
C7H4F2O3
Molecular Weight:
174.1017
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
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
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