AG007VF2

110234-68-9 | 4,4,4-Trifluoro-3-oxobutanenitrile

AG007VF2

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CAS Number	110234-68-9
Catalog Number	AG007VF2(AGN-PC-00O747)
Chemical Name	4,4,4-Trifluoro-3-oxobutanenitrile
IUPAC Name	4,4,4-trifluoro-3-oxobutanenitrile
InChI	InChI=1S/C4H2F3NO/c5-4(6,7)3(9)1-2-8/h1H2
InChI Key	RDNQEPVYJCVARF-UHFFFAOYSA-N
MDL Number	MFCD11099951
Molecular Formula	C4H2F3NO
Molecular Weight	137.0600
SMILES	FC(C(CC#N)=O)(F)F
Synonyms	4,4,4-trifluoro-3-oxobutanenitrile, 110234-68-9, 4,4,4-trifluoro-3-oxo-butanenitrile, Butanenitrile, 4,4,4-trifluoro-3-oxo-, Butanenitrile,4,4,4-trifluoro-3-oxo-, 4,4,4-trifluoro-3-oxo-butyronitrile, PubChem22882, Trifluoroacetoacetonitrile, AC1Q4I3U, ACMC-1C97G, SCHEMBL573401, CTK4A6825, DTXSID70551094, RDNQEPVYJCVARF-UHFFFAOYSA-N, 2549AJ, 3-Oxo-4,4,4-trifluorobutanenitrile, 4,4,4-trifluoro-3-oxobutyronitrile, MFCD11099951, ZINC21303952, AKOS009279506, AN-3355, LS20760, MCULE-6915153605, NE30282, RP20325, RTX-011969, AJ-78489, BS-13071, SC-14519, DB-059984, AM20080729, FT-0648246, TL80073494, EN300-45046, 234T689, A802173, J-002407, J-513964, 4,4,4-tris(fluoranyl)-3-oxidanylidene-butanenitrile, I14-34152, Z234897673, C4H2F3NO, ACN-045090,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.009g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	137.061g/mol
Monoisotopic Mass	137.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P301+P310-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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