AG0076L9

3906-87-4 | 2-Fluoroterephthalic acid

AG0076L9

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CAS Number	3906-87-4
Catalog Number	AG0076L9(AGN-PC-0JLQQU)
Chemical Name	2-Fluoroterephthalic acid
EC Number	223-464-8
IUPAC Name	2-fluoroterephthalic acid
InChI	InChI=1S/C8H5FO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key	YUWKPDBHJFNMAD-UHFFFAOYSA-N
MDL Number	MFCD03407274
Molecular Formula	C8H5FO4
Molecular Weight	184.1213
NSC Number	127031
SMILES	O=C(O)C1=CC=C(C(O)=O)C=C1F
Synonyms	2-Fluoroterephthalic acid, 3906-87-4, 1,4-Benzenedicarboxylic acid, 2-fluoro-, 2,5-DICARBOXY-FLUOROBENZENE, 2-fluorobenzene-1,4-dicarboxylic acid, AK-53731, EINECS 223-464-8, NSC127031, fluoroterephthalic acid, AC1Q5TYU, Maybridge3_004751, AC1L2T7G, SCHEMBL460421, CTK1C6108, KS-00000OVO, ZINC74378, DTXSID50192308, YUWKPDBHJFNMAD-UHFFFAOYSA-N, HMS1444H21, FCH847060, MFCD03407274, 2-fluoro-1,4-benzenedicarboxylic acid, AKOS006278592, CS-W006938, MCULE-8627057109, NSC-127031, PC48471, 1,4-Benzenedicarboxylicacid, 2-fluoro-, IDI1_016138, AJ-10324, DS-14275, AX8215211, ST2404426, 4CH-003780, 2-Fluoroterephthalicacid, C8-H5-F-O4, CID77511, AR-1E1808, ACN-050286, 40951-21-1,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	184.122g/mol
Monoisotopic Mass	184.017g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

Lot Number