2,6-Difluoro-4-hydroxybenzoic Acid - CAS 214917-68-7

Catalog:	BB016912
Product Name:	2,6-Difluoro-4-hydroxybenzoic Acid
CAS:	214917-68-7
Synonyms:	2,6-difluoro-4-hydroxybenzoic acid; 2,6-difluoro-4-hydroxybenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2,6-difluoro-4-hydroxybenzoic acid
Description:	2,6-Difluoro-4-hydroxybenzoic Acid (CAS# 214917-68-7) is a fluorobenzoic acid derivative and a synthetic intermediate in the synthesis of various pharmaceutical goods.
Molecular Weight:	174.10
Molecular Formula:	C7H4F2O3
Canonical SMILES:	C1=C(C=C(C(=C1F)C(=O)O)F)O
InChI:	InChI=1S/C7H4F2O3/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2,10H,(H,11,12)
InChI Key:	NFIQGYBXSJQLSR-UHFFFAOYSA-N
Boiling Point:	323.3 °C at 760 mmHg
Density:	1.6 g/cm³
MDL:	MFCD03094500
LogP:	1.36860

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.01285031
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	174.01285031
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3