AG002V16

289686-70-0 | Benzeneacetic acid, α,α-dimethyl-3,5-bis(trifluoromethyl)-

AG002V16

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CAS Number	289686-70-0
Catalog Number	AG002V16(AGN-PC-0MUB9D)
Chemical Name	Benzeneacetic acid, α,α-dimethyl-3,5-bis(trifluoromethyl)-
IUPAC Name	2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid
InChI	InChI=1S/C12H10F6O2/c1-10(2,9(19)20)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,1-2H3,(H,19,20)
InChI Key	ORLKRFYFNMCQIG-UHFFFAOYSA-N
MDL Number	MFCD09032572
Molecular Formula	C12H10F6O2
Molecular Weight	300.1970
SMILES	FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)O)(C)C)(F)F
Synonyms	289686-70-0, 2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanoic acid, 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid, 2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid, 2-(3,5-Bis-trifluoromethyl-phenyl)-2-methyl-propionic acid, AK167293, Benzeneacetic acid, alpha,alpha-dimethyl-3,5-bis(trifluoromethyl)-, Netupitant ITS-5, 2-(3,5-Bis-trifluoromethyl-phenyl)-, SCHEMBL4028192, KS-00000SVX, DTXSID70431524, ORLKRFYFNMCQIG-UHFFFAOYSA-N, ACT09480, MFCD09032572, ZINC21997414, AKOS015964568, SB12449, AC-29247, AS-18966, BC218199, SC-90462, 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropano, 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropionic acid, 2-(3,5-bis-trifluoromethylphenyl)-2-methyl-propionic acid, 2-(3,5-Bis-trifluoromethylphenyl)-2-methylpropionic acid, 2-(3,5-bistrifluoromethyl-phenyl)-2-methyl propionic acid, alpha,alpha-Dimethyl-3,5-bis(trifluoromethyl)benzeneacetic Acid, Benzeneacetic acid, ?,??-?dimethyl-?3,?5-?bis(trifluoromethyl)?-, ACN-051648, CID9835948, 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-propanoic Acid, 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropionic acid, 2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid,,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.058g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	300.2g/mol
Monoisotopic Mass	300.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

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

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