AG000S3E

1261874-58-1 | 2-(3-Fluoro-4-iodophenyl)acetic acid

AG000S3E

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CAS Number	1261874-58-1
Catalog Number	AG000S3E(AGN-PC-0WD0OD)
Chemical Name	2-(3-Fluoro-4-iodophenyl)acetic acid
IUPAC Name	2-(3-fluoro-4-iodophenyl)acetic acid
InChI	InChI=1S/C8H6FIO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12)
InChI Key	CMRUORQQYMIYDF-UHFFFAOYSA-N
MDL Number	MFCD18396995
Molecular Formula	C8H6FIO2
Molecular Weight	280.0349
SMILES	FC=1C=C(C=CC1I)CC(=O)O
Synonyms	2-(3-Fluoro-4-iodophenyl)acetic acid, 1261874-58-1, 3-FLUORO-4-IODOPHENYLACETIC ACID, CTK8B6151, DTXSID40743126, (3-Fluoro-4-iodophenyl)acetic acid, 5069AA, ANW-52862, CL8777, MFCD18396995, ZINC82237865, AKOS015999920, Benzeneacetic acid, 3-fluoro-4-iodo-, FCH1371859, AS-46102, AB0087501, AJ-125105, AX8231719, TC-141607, ST24021721, X-1412, C8H6FIO2, 2-(3-Fluoro-4-iodophenyl)aceticacid,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.94g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	280.037g/mol
Monoisotopic Mass	279.94g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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