AG007E5U

1060739-01-6 | 2,5-Difluoro-4-methoxybenzoic acid

AG007E5U

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CAS Number	1060739-01-6
Catalog Number	AG007E5U(AGN-PC-0WANLP)
Chemical Name	2,5-Difluoro-4-methoxybenzoic acid
IUPAC Name	2,5-difluoro-4-methoxybenzoic acid
InChI	InChI=1S/C8H6F2O3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3H,1H3,(H,11,12)
InChI Key	RQVYGORJRNFUOO-UHFFFAOYSA-N
MDL Number	MFCD11847151
Molecular Formula	C8H6F2O3
Molecular Weight	188.1282
SMILES	COC1=CC(F)=C(C=C1F)C(O)=O
Synonyms	2,5-DIFLUORO-4-METHOXYBENZOIC ACID, 1060739-01-6, 2,5-Difluoro-4-methoxybenzoicacid, ACMC-2098ii, SCHEMBL17700509, CTK8A9116, KS-00000YSM, DTXSID80695170, RQVYGORJRNFUOO-UHFFFAOYSA-N, ANW-15304, MFCD11847151, ZINC83256084, AKOS016007234, AS-8091, FCH1158984, PC300817, SC-32406, AB0036402, AJ-125805, AX8237703, TC-104049, ST24038742, Y3599, B-6364, C8H6F2O3,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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