AG00BCJY

214917-68-7 | 2,6-Difluoro-4-hydroxybenzoic acid

AG00BCJY

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CAS Number	214917-68-7
Catalog Number	AG00BCJY(AGN-PC-0KKZ4D)
Chemical Name	2,6-Difluoro-4-hydroxybenzoic acid
IUPAC Name	2,6-difluoro-4-hydroxybenzoic acid
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
MDL Number	MFCD03094500
Molecular Formula	C7H4F2O3
Molecular Weight	174.1017
SMILES	O=C(O)C1=C(F)C=C(O)C=C1F
Synonyms	2,6-difluoro-4-Hydroxybenzoic Acid, 214917-68-7, 2,6-difluoro-4-hydroxy-benzoic Acid, MFCD03094500, Benzoic acid, 2,6-difluoro-4-hydroxy-, PubChem4938, ACMC-1CLES, AC1MCU17, KSC495O6F, SCHEMBL198786, 4-Carboxy-3,5-difluorophenol, Jsp004369, CTK3J5762, KS-00000ZQT, DTXSID20381126, NFIQGYBXSJQLSR-UHFFFAOYSA-N, ACT00485, ZINC2243359, AN-384, ANW-24470, BBL101992, CD-633, SBB088847, STL555789, AKOS006228607, CM12672, CS-W003008, PS-6867, VZ22922, AC-26039, AJ-34309, AK-34100, BR-34100, SC-62471, SY025266, AB0019884, AB1010799, DB-005151, RT-002685, ST2403738, D3985, FT-0601443, V0454, EN300-80637, MFCD03094500 (95%), A20296, M-2737, 917D687, I01-7527, J-507469, C7H4F2O3, 2,6-Difluoro-4-hydroxybenzoicacid, CID2778776,

Complexity	174
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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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