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13178-31-9

13178-31-9 | 3-Buten-1-one, 2,3,4,4-tetrachloro-1-(4-morpholinyl)-

CAS No: 13178-31-9 Catalog No: AG000ZQI MDL No:

Product Description

Catalog Number:
AG000ZQI
Chemical Name:
3-Buten-1-one, 2,3,4,4-tetrachloro-1-(4-morpholinyl)-
CAS Number:
13178-31-9
Molecular Formula:
C8H9Cl4NO2
Molecular Weight:
292.9746
IUPAC Name:
2,3,4,4-tetrachloro-1-morpholin-4-ylbut-3-en-1-one
InChI:
InChI=1S/C8H9Cl4NO2/c9-5(7(11)12)6(10)8(14)13-1-3-15-4-2-13/h6H,1-4H2
InChI Key:
CIQLKIDQXGHLJD-UHFFFAOYSA-N
SMILES:
ClC(C(=C(Cl)Cl)Cl)C(=O)N1CCOCC1

Properties

Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.936g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.965g/mol
Monoisotopic Mass:
290.939g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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