AG00ICXB

78185-92-9 | Ethyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butyrate

AG00ICXB

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CAS Number	78185-92-9
Catalog Number	AG00ICXB(AGN-PC-0OI47U)
Chemical Name	Ethyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butyrate
IUPAC Name	ethyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
InChI	InChI=1S/C7H9F6NO2/c1-2-16-5(15)3(14)4(6(8,9)10)7(11,12)13/h3-4H,2,14H2,1H3
InChI Key	PGOSQXOLEQZPBM-UHFFFAOYSA-N
MDL Number	MFCD00040845
Molecular Formula	C7H9F6NO2
Molecular Weight	253.1423
SMILES	NC(C(C(F)(F)F)C(F)(F)F)C(OCC)=O
Synonyms	78185-92-9, ethyl 4,4,4,4',4',4'-hexafluoro-dl-valinate, MFCD00040845, 2-Amino-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester, SCHEMBL2888357, PGOSQXOLEQZPBM-UHFFFAOYSA-N, AKOS005258341, PC450233, SC-42002, Y-9964, ethyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)b, Ethyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butyrate, 2-amino-4,4,4-trifluoro-3-trifluoromethyl-butyric acid ethyl ester, 2-Amino-4,4,4-trifluoro-3-trifluoromethylbutyric acid ethyl ester, ETHYL 2-AMINO-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)BUTANOATE, 4,4,4,4',4',4'-Hexafluorovaline, ethyl ester, ethyl (2S)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoate,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.054g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.144g/mol
Monoisotopic Mass	253.054g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

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