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2892-61-7 | 3-Butenoic acid, 2,3,4,4-tetrachloro-, butyl ester
CAS No: 2892-61-7 Catalog No: AG002X37 MDL No:
Product Description
Catalog Number:
AG002X37
Chemical Name:
3-Butenoic acid, 2,3,4,4-tetrachloro-, butyl ester
CAS Number:
2892-61-7
Molecular Formula:
C8H10Cl4O2
Molecular Weight:
279.9758
IUPAC Name:
butyl 2,3,4,4-tetrachlorobut-3-enoate
InChI:
InChI=1S/C8H10Cl4O2/c1-2-3-4-14-8(13)6(10)5(9)7(11)12/h6H,2-4H2,1H3
InChI Key:
ABQQFYPRVNNXNU-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(C(=C(Cl)Cl)Cl)Cl
EC Number:
220-763-5
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.941g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.966g/mol
Monoisotopic Mass:
277.943g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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