2-fluoro-5-hydroxy-4-methylbenzoic acid - CAS 870221-14-0

Catalog:	BB038176
Product Name:	2-fluoro-5-hydroxy-4-methylbenzoic acid
CAS:	870221-14-0
Synonyms:	2-fluoro-5-hydroxy-4-methylbenzoic acid; 2-fluoro-5-hydroxy-4-methylbenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-fluoro-5-hydroxy-4-methylbenzoic acid
Description:	2-fluoro-5-hydroxy-4-methylbenzoic acid (CAS# 870221-14-0) is a useful research chemical.
Molecular Weight:	170.139
Molecular Formula:	C8H7FO3
Canonical SMILES:	CC1=C(C=C(C(=C1)F)C(=O)O)O
InChI:	InChI=1S/C8H7FO3/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3,10H,1H3,(H,11,12)
InChI Key:	HHMKFYPHQRSEPC-UHFFFAOYSA-N
LogP:	1.53790

Publication Number	Title	Priority Date
AU-2005245386-A1	Nitrogenated heterocyclic derivatives as protein kinase modulators and use for the treatment of angiogenesis and cancer	20040507
AU-2005245386-B2	Nitrogenated heterocyclic derivatives as protein kinase modulators and use for the treatment of angiogenesis and cancer	20040507
CA-2564355-C	Protein kinase modulators and method of use	20040507
EP-1751136-A2	Nitrogenated heterocyclic derivatives as protein kinase modulators and use for the treatment of angiogenesis and cancer	20040507
EP-1751136-B1	Nitrogenated heterocyclic derivatives as protein kinase modulators and use for the treatment of angiogenesis and cancer	20040507

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.03792224
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.03792224
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6