AG003FD6

653-21-4 | 2-(Perfluorophenyl)acetic acid

AG003FD6

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CAS Number	653-21-4
Catalog Number	AG003FD6(AGN-PC-0JL93Q)
Chemical Name	2-(Perfluorophenyl)acetic acid
EC Number	211-497-0
IUPAC Name	2-(2,3,4,5,6-pentafluorophenyl)acetic acid
InChI	InChI=1S/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15)
InChI Key	LGCODSNZJOVMHV-UHFFFAOYSA-N
MDL Number	MFCD00004316
Molecular Formula	C8H3F5O2
Molecular Weight	226.1002
SMILES	O=C(O)CC1=C(F)C(F)=C(F)C(F)=C1F
Synonyms	653-21-4, 2,3,4,5,6-Pentafluorophenylacetic acid, Pentafluorophenylacetic acid, (Pentafluorophenyl)acetic acid, 2-(Perfluorophenyl)acetic acid, 2-(2,3,4,5,6-pentafluorophenyl)acetic acid, LGCODSNZJOVMHV-UHFFFAOYSA-N, MFCD00004316, 2,3,4,5,6-pentafluorphenylacetic acid, Benzeneacetic acid, 2,3,4,5,6-pentafluoro-, EN300-23512, EINECS 211-497-0, ACMC-20aoj2, PentafluorophenylaceticAcid, AC1L2C4T, AC1Q4N5H, AC1Q74VG, SCHEMBL503968, 2-(pentafluorophenyl)acetic acid, CTK5C2546, DTXSID50215642, ZINC1845857, ZX-AN010873, ZX-AP003860, PC5650, SBB051081, AKOS001287433, MCULE-1826295430, VZ33598, KS-0000152Z, AJ-31878, AN-47094, AS-50016, CC-06602, L016, SC-76403, (2,3,4,5,6-pentafluorophenyl)acetic acid, AX8010800, DB-054798, TC-171461, TL8004640, Benzeneacetic acid,2,3,4,5,6-pentafluoro-, D1056, FT-0632756, P1004, ST45026888, 2,3,4,5,6-PENTAFLUOROPHENYLACETICACID, C-4792, 2,3,4,5,6-Pentafluorophenylacetic acid, 99%, C-12831, Z210803726, C8H3F5O2, Pentafluorophenylacetic acid 100g, KST-1A7434, C8-H3-F5-O2, CID69553, AR-1A7761, 2,3,4,5,6-Pentafluorophenylacetic acid, 98% - 1G 1g, 67845-28-7,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.005g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.102g/mol
Monoisotopic Mass	226.005g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

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