AG002UPW

277756-45-3 | Cyclobutanecarboxylic acid, 1-(trifluoromethyl)-

AG002UPW

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CAS Number	277756-45-3
Catalog Number	AG002UPW(AGN-PC-0KL1XQ)
Chemical Name	Cyclobutanecarboxylic acid, 1-(trifluoromethyl)-
IUPAC Name	1-(trifluoromethyl)cyclobutane-1-carboxylic acid
InChI	InChI=1S/C6H7F3O2/c7-6(8,9)5(4(10)11)2-1-3-5/h1-3H2,(H,10,11)
InChI Key	HYRCPSRIIWIESW-UHFFFAOYSA-N
MDL Number	MFCD03425197
Molecular Formula	C6H7F3O2
Molecular Weight	168.1138
SMILES	FC(C1(CCC1)C(=O)O)(F)F
Synonyms	1-(Trifluoromethyl)cyclobutanecarboxylic acid, 277756-45-3, 1-Trifluoromethylcyclobutane-1-carboxylic acid, 1-(trifluoromethyl)-1-cyclobutanecarboxylic acid, 1-(trifluoromethyl)cyclobutane-1-carboxylic Acid, Cyclobutanecarboxylicacid, 1-(trifluoromethyl)-, 1-(trifluoromethyl)-1-cyclobutane-1-carboxylic acid, MFCD03425197, 1-trifluoromethyl-cyclobutanecarboxylic acid, 1-(trifluoromethyl)-1-cyclobutane carboxylic acid, AC1MD37G, SCHEMBL17586, AC1Q71Z4, CTK1A1659, KS-00000KUG, DTXSID40382332, HYRCPSRIIWIESW-UHFFFAOYSA-N, BDBM108241, ZINC2576099, BBL102387, SBB059702, STL556189, AKOS005063812, CS-W005868, MCULE-1966660387, PS-6956, AJ-42471, AK157970, AN-29150, 1-trifluormethyl-cyclobutanecarboxylic acid, 1-trifluoromethylcyclobutyl carboxylic acid, AB0077647, ST2403296, TR-012388, 1-trifluoromethyl-1-cyclobutylcarboxylic acid, 4CH-018757, FT-0676593, ST50827409, EN300-88141, 1-Trifluoromethyl cyclobutane-1-carboxylic acid, 1-trifluoromethyl-cyclobutane-1-carboxylic acid, X-4123, Cyclobutanecarboxylic acid, 1-(trifluoromethyl)-, 756T453, 1-(Trifluoromethyl)cyclobutanecarboxylic acid, 97%, 3S107727, 3S110714, I04-5171, J-016881, 1‐(trifluoromethyl)cyclobutane‐1‐carboxylic acid (Hit 9), CID2782838,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.04g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.115g/mol
Monoisotopic Mass	168.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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