AG00AOXA

184848-89-3 | 4-Amino-1,1,1-trifluoro-3-buten-2-one

AG00AOXA

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CAS Number	184848-89-3
Catalog Number	AG00AOXA(AGN-PC-0KKZKG)
Chemical Name	4-Amino-1,1,1-trifluoro-3-buten-2-one
IUPAC Name	(E)-4-amino-1,1,1-trifluorobut-3-en-2-one
InChI	InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2/b2-1+
InChI Key	DHJDPIHFALRNER-OWOJBTEDSA-N
MDL Number	MFCD01569588
Molecular Formula	C4H4F3NO
Molecular Weight	139.0759
SMILES	NC=CC(C(F)(F)F)=O
Synonyms	184848-89-3, 4-Amino-1,1,1-trifluorobut-3-en-2-one, 4-amino-1,1,1-trifluoro-3-buten-2-one, (E)-4-amino-1,1,1-trifluorobut-3-en-2-one, 4-Amino-2-oxo-1,1,1-trifluorobut-3-ene, (3E)-4-amino-1,1,1-trifluorobut-3-en-2-one, MFCD01569588, HiFHpAhIAICICHiCLjifACP, 120417-45-0, 4-amino-1,1,1-trifluoro-3-butene-2-one, AC1NWO5G, BCP14977, SBB069913, ZINC96023982, AKOS015854044, AKOS025310523, ACN-049009, AS-47671, BC207971, BR-32001, EN002110, SC-96566, 1,1,1-Trifluoro-4-amino-3-buten-2-one, AJ-138264, ST2418062, TC-040309, W3995, 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, S-5102, (E)-4-Amino-1,1,1-trifluoro-but-3-en-2-one, 4-Amino-1,1,1-trifluoro-buten-3-en(E)-2-one, 848A893, I14-1866, Q-101521, 4-amino-1,1,1-trifluoro-3-butene-2-one184848-89-3, C4H4F3NO, CID5709092,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	139.024g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.077g/mol
Monoisotopic Mass	139.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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