AG0037W8

1188911-72-9 | Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate

AG0037W8

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CAS Number	1188911-72-9
Catalog Number	AG0037W8(AGN-PC-0WAJU8)
Chemical Name	Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate
IUPAC Name	methyl 3,3,3-trifluoro-2,2-dimethylpropanoate
InChI	InChI=1S/C6H9F3O2/c1-5(2,4(10)11-3)6(7,8)9/h1-3H3
InChI Key	ZVXAFVCHEIPHDR-UHFFFAOYSA-N
MDL Number	MFCD18253569
Molecular Formula	C6H9F3O2
Molecular Weight	170.1297
SMILES	COC(=O)C(C(F)(F)F)(C)C
Synonyms	Methyl 3,3,3-trifluoro-2,2-dimethylpropanoate, 1188911-72-9, 3,3,3-Trifluoro-2,2-dimethylpropionic acid methyl ester, Methyl3,3,3-trifluoro-2,2-dimethylpropanoate, SCHEMBL776194, CTK8B4529, DTXSID70704821, ZVXAFVCHEIPHDR-UHFFFAOYSA-N, BCP05945, KS-000002FO, ANW-45399, BBL102435, MFCD18253569, QC-997, STL556237, ZINC71257002, AKOS005259266, AK-61496, DS-14782, SC-71478, AB0028285, AJ-117754, ST2407163, TC-134144, CS-0043781, X0351, X-4031, 3,3,3-Trifluoro-2,2-dimethyl-propionic acid methyl ester, 3,3,3-TRIFLUORO-2,2-DIMETHYLPROPIONIC ACID METHYLESTER, C6H9F3O2,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.055g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.131g/mol
Monoisotopic Mass	170.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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