AG0022HE

180918-40-5 | Cyclohexanecarboxylic acid, 1-(trifluoromethyl)-

AG0022HE

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CAS Number	180918-40-5
Catalog Number	AG0022HE(AGN-PC-00PH7X)
Chemical Name	Cyclohexanecarboxylic acid, 1-(trifluoromethyl)-
IUPAC Name	1-(trifluoromethyl)cyclohexane-1-carboxylic acid
InChI	InChI=1S/C8H11F3O2/c9-8(10,11)7(6(12)13)4-2-1-3-5-7/h1-5H2,(H,12,13)
InChI Key	VFSFTDFBHSFDEE-UHFFFAOYSA-N
MDL Number	MFCD08445820
Molecular Formula	C8H11F3O2
Molecular Weight	196.1669
SMILES	O=C(C1(C(F)(F)F)CCCCC1)O
Synonyms	1-(Trifluoromethyl)cyclohexane-1-carboxylic acid, 180918-40-5, 1-(trifluoromethyl)cyclohexanecarboxylic acid, Cyclohexanecarboxylicacid, 1-(trifluoromethyl)-, ACMC-20ap98, SCHEMBL696271, AC1Q720A, CTK0H3339, DTXSID80573464, VFSFTDFBHSFDEE-UHFFFAOYSA-N, BBL100622, MFCD08445820, SBB091971, STL554416, ZINC12359145, AKOS005254781, RP04033, RTR-045569, AJ-61383, 1-Trifluoromethyl-cyclohexanecarboxylic acid, DB-005601, TR-045569, FT-0081296, FT-0651090, Y8048, Cyclohexanecarboxylicacid,1-(trifluoromethyl)-, EN300-88143, X-4261, Cyclohexanecarboxylic acid, 1-(trifluoromethyl)-, J-503683, I14-34501, 1-(Trifluoromethyl)cyclohexane-1-carboxylic acid, 97%, C8H11F3O2, 3,3,3-Trifluoro-2,2-dimethylpropionic acid,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.071g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.169g/mol
Monoisotopic Mass	196.071g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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