AG002UPX

277756-44-2 | Cyclopentanecarboxylic acid, 1-(trifluoromethyl)-

AG002UPX

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CAS Number	277756-44-2
Catalog Number	AG002UPX(AGN-PC-00PH7Y)
Chemical Name	Cyclopentanecarboxylic acid, 1-(trifluoromethyl)-
IUPAC Name	1-(trifluoromethyl)cyclopentane-1-carboxylic acid
InChI	InChI=1S/C7H9F3O2/c8-7(9,10)6(5(11)12)3-1-2-4-6/h1-4H2,(H,11,12)
InChI Key	DGQRYPPBAJNZFZ-UHFFFAOYSA-N
MDL Number	MFCD08445821
Molecular Formula	C7H9F3O2
Molecular Weight	182.1404
SMILES	O=C(C1(C(F)(F)F)CCCC1)O
Synonyms	277756-44-2, 1-(Trifluoromethyl)cyclopentane-1-carboxylic acid, 1-(trifluoromethyl)cyclopentanecarboxylic acid, MFCD08445821, ACMC-1CP3T, AC1Q71ZH, SCHEMBL1786525, CTK1A0639, DTXSID40573465, DGQRYPPBAJNZFZ-UHFFFAOYSA-N, SBB089870, ZINC12359146, AKOS005254509, RP03263, RTR-012387, AS-49396, SC-34042, DB-067824, TR-012387, 1-Trifluoromethyl-cyclopentanecarboxylic acid, 1-trifluoromethylcyclopentane carboxylic acid, FT-0677961, Y8536, EN300-88142, Z-0123, Cyclopentanecarboxylicacid, 1-(trifluoromethyl)-, Cyclopentanecarboxylic acid, 1-(trifluoromethyl)-, I04-5172, J-503684, 1-(Trifluoromethyl)cyclopentane-1-carboxylic acid, 97%, Z414834406, C7H9F3O2, 1- CYCLOPENTANE-1-CARBOXYLICACID,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.055g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.142g/mol
Monoisotopic Mass	182.055g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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