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Home > Fluorides > 749230-51-1
749230-51-1 | 2,3-Difluoro-5-hydroxybenzoic acid
CAS No: 749230-51-1 Catalog No: AG0036NB MDL No:MFCD08704572
Product Description
Catalog Number:
AG0036NB
Chemical Name:
2,3-Difluoro-5-hydroxybenzoic acid
CAS Number:
749230-51-1
Molecular Formula:
C7H4F2O3
Molecular Weight:
174.1017
MDL Number:
MFCD08704572
IUPAC Name:
2,3-difluoro-5-hydroxybenzoic acid
InChI:
InChI=1S/C7H4F2O3/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2,10H,(H,11,12)
InChI Key:
UHGVHUUHCKECKJ-UHFFFAOYSA-N
SMILES:
Oc1cc(F)c(c(c1)C(=O)O)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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