AG00ABX3

170572-47-1 | 3,5-difluoro-4-hydroxybenzoic acid Methyl ester

AG00ABX3

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CAS Number	170572-47-1
Catalog Number	AG00ABX3(AGN-PC-09ZKGY)
Chemical Name	3,5-difluoro-4-hydroxybenzoic acid Methyl ester
IUPAC Name	methyl 3,5-difluoro-4-hydroxybenzoate
InChI	InChI=1S/C8H6F2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3
InChI Key	GNFQIZAZPRYIFJ-UHFFFAOYSA-N
MDL Number	MFCD12406862
Molecular Formula	C8H6F2O3
Molecular Weight	188.1282
SMILES	O=C(OC)C1=CC(F)=C(O)C(F)=C1
Synonyms	Methyl 3,5-difluoro-4-hydroxybenzoate, 170572-47-1, 3,5-DIFLUORO-4-HYDROXYBENZOIc acid METHYL ESTER, SCHEMBL198937, CTK8E4297, KS-00000QWR, DTXSID00707108, GNFQIZAZPRYIFJ-UHFFFAOYSA-N, MFCD12406862, ZINC72188028, AKOS016012948, MS-9672, AK126686, AJ-119122, TX-013030, 3,5-difluoro-4-hydroxy-benzoic acid methyl ester, Benzoic acid, 3,5-difluoro-4-hydroxy-, methyl ester, 3,5-Difluoro-4-hydroxybenzoic acid methyl ester, 98%, methyl3,5-difluoro-4-hydroxybenzoate,

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	1
Isotope Atom Count	0
Molecular Weight	188.13g/mol
Monoisotopic Mass	188.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H303+H313+H333-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number