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75147-20-5 | 3-Butenoic acid,2,2,3,4,4-pentachloro-, butyl ester
CAS No: 75147-20-5 Catalog No: AG00565H MDL No:
Product Description
Catalog Number:
AG00565H
Chemical Name:
3-Butenoic acid,2,2,3,4,4-pentachloro-, butyl ester
CAS Number:
75147-20-5
Molecular Formula:
C8H9Cl5O2
Molecular Weight:
314.4209
IUPAC Name:
butyl 2,2,3,4,4-pentachlorobut-3-enoate
InChI:
InChI=1S/C8H9Cl5O2/c1-2-3-4-15-7(14)8(12,13)5(9)6(10)11/h2-4H2,1H3
InChI Key:
JZJILZTVTMMGAR-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(C(=C(Cl)Cl)Cl)(Cl)Cl
EC Number:
278-078-2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.902g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.408g/mol
Monoisotopic Mass:
311.905g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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