AG0001RV

1003709-80-5 | Benzoic acid, 2,4-difluoro-3,5-dimethoxy-

AG0001RV

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CAS Number	1003709-80-5
Catalog Number	AG0001RV(AGN-PC-07A7SD)
Chemical Name	Benzoic acid, 2,4-difluoro-3,5-dimethoxy-
IUPAC Name	2,4-difluoro-3,5-dimethoxybenzoic acid
InChI	InChI=1S/C9H8F2O4/c1-14-5-3-4(9(12)13)6(10)8(15-2)7(5)11/h3H,1-2H3,(H,12,13)
InChI Key	LLRUPRYHYIFLJS-UHFFFAOYSA-N
MDL Number	MFCD09839225
Molecular Formula	C9H8F2O4
Molecular Weight	218.1542
SMILES	COC1=CC(C(O)=O)=C(F)C(OC)=C1F
Synonyms	2,4-DIFLUORO-3,5-DIMETHOXYBENZOIC ACID, 1003709-80-5, 2,4-difluoro-3,5-dimethoxy benzoic acid, 2,4-Difluoro-3,5-dimethoxy-benzoic acid, PubChem15064, SCHEMBL19438657, CTK3J8865, DTXSID80662786, ANW-69293, MFCD09839225, TD1002, ZINC39953647, AKOS015951064, AS01845, AS04425, CD-1207, CM12666, LS10014, XF10074, 2,4-Difluoro-3,5-Dimethoxy-BenzoicAcid, AC-28670, AK-32624, AS-54696, BC639001, PC408066, SC-22010, AB1007438, AJ-101357, AX8161247, DB-058375, TC-158038, 4CH-021766, Benzoic acid, 2,4-difluoro-3,5-dimethoxy-, FT-0691423, ST24038657, X6001, A19993, null, C9H8F2O4, 20776-61-8,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.039g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.156g/mol
Monoisotopic Mass	218.039g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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