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Home > Fluorides > 205533-31-9
205533-31-9 | Benzoic acid, 4,5-difluoro-2-hydroxy-
CAS No: 205533-31-9 Catalog No: AG002A5L MDL No:
Product Description
Catalog Number:
AG002A5L
Chemical Name:
Benzoic acid, 4,5-difluoro-2-hydroxy-
CAS Number:
205533-31-9
Molecular Formula:
C7H4F2O3
Molecular Weight:
174.1017
IUPAC Name:
4,5-difluoro-2-hydroxybenzoic acid
InChI:
InChI=1S/C7H4F2O3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
InChI Key:
LQPQOESULBOBBB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)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:
1.8
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