AG0073ZE

1211596-29-0 | 3,5-Difluoro-4-(hydroxymethyl)benzoicacid

AG0073ZE

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CAS Number	1211596-29-0
Catalog Number	AG0073ZE(AGN-PC-080FLF)
Chemical Name	3,5-Difluoro-4-(hydroxymethyl)benzoicacid
IUPAC Name	3,5-difluoro-4-(hydroxymethyl)benzoic acid
InChI	InChI=1S/C8H6F2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2,11H,3H2,(H,12,13)
InChI Key	KJXISPQWLQRHDO-UHFFFAOYSA-N
MDL Number	MFCD12547172
Molecular Formula	C8H6F2O3
Molecular Weight	188.1282
SMILES	OCC1=C(F)C=C(C=C1F)C(O)=O
Synonyms	3,5-difluoro-4-(hydroxymethyl)benzoic acid, 1211596-29-0, SCHEMBL13304068, CTK8D3736, DTXSID30677426, ZINC64034021, AKOS015890928, FCH1138542, DS-13576, AJ-114713, AX8161784, DB-010049, TC-071968, FT-0726275, I01-8742, ACN-038943, 3,5-Difluoro-4-hydroxymethyl-benzoic acid, 3,5-DIFLUORO-4-(HYDROXYMETHYL)BENZOICACID,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.029g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.13g/mol
Monoisotopic Mass	188.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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