AG007A91

356-02-5 | 4,4,5,5,6,6,6-Heptafluorohexanoic acid

AG007A91

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CAS Number	356-02-5
Catalog Number	AG007A91(AGN-PC-0KKWHQ)
Chemical Name	4,4,5,5,6,6,6-Heptafluorohexanoic acid
IUPAC Name	4,4,5,5,6,6,6-heptafluorohexanoic acid
InChI	InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15)
InChI Key	ISFKSWMQWIRDNC-UHFFFAOYSA-N
MDL Number	MFCD00077553
Molecular Formula	C6H5F7O2
Molecular Weight	242.0915
SMILES	O=C(CCC(F)(C(F)(C(F)(F)F)F)F)O
Synonyms	4,4,5,5,6,6,6-heptafluorohexanoic Acid, 356-02-5, 2h,2h,3h,3h-perfluorohexanoic acid, AC1MCP3W, 33FTA, SCHEMBL866227, CTK4H4903, DTXSID00379268, PC4496G, ZINC2555199, ZX-AP011859, 1477AE, ACM356025, BBL101680, MFCD00077553, SBB099532, STL555476, AKOS007930566, FS-4389, CC-17065, SC-54231, 4,4,5,5,6,6,6-Heptafluorocaproic acid, DB-048845, TR-014711, FT-0632029, Hexanoic acid,4,4,5,5,6,6,6-heptafluoro-, Y-9332, 4,4,5,5,6,6,6-heptakis(fluoranyl)hexanoic acid, A822894, C-14549, I04-5201, C6H5F7O2, CID2774909, 4,4,5,5,6,6,6-Heptafluorohexanoic acid 100g,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.018g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.093g/mol
Monoisotopic Mass	242.018g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(6.1)
Hazard statements	H301-H311-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P361-P362-P363-P403-P403+P233-P405-P501
Signal Words	danger
UN Code	UN 2478

Certificate of Analysis

Lot Number