AG0048ZX

886498-30-2 | 2,6-Difluoro-3-methoxybenzoic acid

AG0048ZX

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CAS Number	886498-30-2
Catalog Number	AG0048ZX(AGN-PC-0VN01L)
Chemical Name	2,6-Difluoro-3-methoxybenzoic acid
IUPAC Name	2,6-difluoro-3-methoxybenzoic acid
InChI	InChI=1S/C8H6F2O3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	YYZBRPSJLASNKL-UHFFFAOYSA-N
MDL Number	MFCD04115901
Molecular Formula	C8H6F2O3
Molecular Weight	188.1282
SMILES	O=C(O)C1=C(F)C=CC(OC)=C1F
Synonyms	2,6-Difluoro-3-methoxybenzoic acid, 886498-30-2, MFCD04115901, AC1LCQAE, Benzoic acid, 2,6-difluoro-3-methoxy-, SCHEMBL201405, CTK5G1103, DTXSID40345482, YYZBRPSJLASNKL-UHFFFAOYSA-N, JRD-1416, KS-00000RO4, ZINC2527824, SBB090706, AKOS006346195, 2,6-Difluoro-3-methoxybenzoic acid #, Benzoic acid,2,6-difluoro-3-methoxy-, MCULE-5863556704, NE46443, PS-6406, AJ-38162, AK136431, 2,6-Difluoro-3-methoxybenzoic acid, 97%, RT-006887, ST2403735, 4CH-017602, FT-0738013, CID604773,

Complexity	198
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	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number