AG003TLI

14892-14-9 | Pentafluorophenoxyacetic acid

AG003TLI

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CAS Number	14892-14-9
Catalog Number	AG003TLI(AGN-PC-0JLV8N)
Chemical Name	Pentafluorophenoxyacetic acid
EC Number	238-964-1
IUPAC Name	2-(2,3,4,5,6-pentafluorophenoxy)acetic acid
InChI	InChI=1S/C8H3F5O3/c9-3-4(10)6(12)8(7(13)5(3)11)16-1-2(14)15/h1H2,(H,14,15)
InChI Key	SMXPFEBIAASLOR-UHFFFAOYSA-N
MDL Number	MFCD00004297
Molecular Formula	C8H3F5O3
Molecular Weight	242.0996
NSC Number	97010
SMILES	O=C(O)COC1=C(F)C(F)=C(F)C(F)=C1F
Synonyms	Pentafluorophenoxyacetic acid, 14892-14-9, (Pentafluorophenoxy)acetic acid, 2,3,4,5,6-Pentafluorophenoxyacetic acid, pentafluorophenyloxyacetic acid, 2-(Perfluorophenoxy)acetic acid, 2,3,4,5,6-Pentafluorophenoxy acetic acid, Acetic acid, (pentafluorophenoxy)-, MFCD00004297, (2,3,4,5,6-pentafluorophenoxy)acetic acid, 2-(2,3,4,5,6-pentafluorophenoxy)acetic acid, EINECS 238-964-1, AI3-51209, AC1Q4N7O, pentafluorophenoxy acetic acid, SCHEMBL503651, AC1L37Z1, Pentafluorophenyloxy-acetic acid, DTXSID20164138, SMXPFEBIAASLOR-UHFFFAOYSA-N, NSC97010, ZINC1627122, (Pentafluorophenoxy)acetic acid 98%, 4583AD, NSC-97010, SBB057698, AKOS000288794, MCULE-3851593670, DB-019636, FT-0637154, P0962, ST50306998, (2,3,4,5,6-pentafluorophenoxy)-acetic acid, acetic acid, (2,3,4,5,6-pentafluorophenoxy)-, C8H3F5O3, KST-1A1585, C8-H3-F5-O3, CID84680, AR-1A7758, D1391, 15113-00-5,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.101g/mol
Monoisotopic Mass	242g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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