AG0036GE

83124-74-7 | 1,1,1-Trichloro-4-ethoxy-but-3-en-2-one

AG0036GE

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CAS Number	83124-74-7
Catalog Number	AG0036GE(AGN-PC-09T1VL)
Chemical Name	1,1,1-Trichloro-4-ethoxy-but-3-en-2-one
IUPAC Name	1,1,1-trichloro-4-ethoxybut-3-en-2-one
InChI	InChI=1S/C6H7Cl3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3
InChI Key	VKNLVLNOHCTKII-UHFFFAOYSA-N
MDL Number	MFCD11520438
Molecular Formula	C6H7Cl3O2
Molecular Weight	217.4776
SMILES	C(C)OC=CC(C(Cl)(Cl)Cl)=O
Synonyms	83124-74-7, 1,1,1-trichloro-4-ethoxy-3-buten-2-one, (E)-1,1,1-TRICHLORO-4-ETHOXY-BUT-3-EN-2-ONE, 3-Buten-2-one,1,1,1-trichloro-4-ethoxy-, CTK1D8987, CTK5F0410, KS-000008EY, SY033637, MFCD11520438 (95%), 1,1,1-tris(chloranyl)-4-ethoxy-but-3-en-2-one, A840508, 4-ethoxy-1,1,1-trichloro-3-buten-2-one, (E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one, 1,1,1-TRICHLORO-4-ETHOXY-BUT-3-EN-2-ONE, 59938-07-7, 3-Buten-2-one, 1,1,1-trichloro-4-ethoxy-, (3E)-,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.951g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.47g/mol
Monoisotopic Mass	215.951g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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