AG003BAB

4837-19-8 | 3-(Difluoromethoxy)benzoic acid

AG003BAB

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CAS Number	4837-19-8
Catalog Number	AG003BAB(AGN-PC-0JWVRS)
Chemical Name	3-(Difluoromethoxy)benzoic acid
IUPAC Name	3-(difluoromethoxy)benzoic acid
InChI	InChI=1S/C8H6F2O3/c9-8(10)13-6-3-1-2-5(4-6)7(11)12/h1-4,8H,(H,11,12)
InChI Key	OKKDGIXOKWOMRD-UHFFFAOYSA-N
MDL Number	MFCD00236224
Molecular Formula	C8H6F2O3
Molecular Weight	188.1282
SMILES	O=C(O)C1=CC=CC(OC(F)F)=C1
Synonyms	3-(Difluoromethoxy)benzoic acid, 4837-19-8, Benzoic acid, 3-(difluoromethoxy)-, 3-Difluoromethoxy-benzoic acid, MFCD00236224, ACMC-20anix, AC1LHR88, 3-difluoromethoxy benzoic acid, SCHEMBL1965898, CTK1D6603, KS-00000MBJ, DTXSID70357078, OKKDGIXOKWOMRD-UHFFFAOYSA-N, HMS1721P04, ZINC373228, ALBB-029070, JRD-0459, 4186AE, SBB020661, STK297801, 3-Carboxy-alpha,alpha-difluoroanisole, AKOS000103362, CS-W007284, DS-5056, MCULE-7744722297, AJ-20283, AK126020, BAS 14278887, SC-13420, DB-021714, TR-036859, 3-(difluoromethoxy)benzoic acid, AldrichCPR, BB 0261565, FT-0613757, ST45061540, Y-8917, AK-968/41169420, I01-14883, 3-(Difluoromethoxy)benzoicacid, C8H6F2O3, CID842614,

Complexity	184
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	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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