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848616-38-6 | 1,3-Benzenediol, 5-chloro-2-[3-(dichloromethylene)hexyl]-
CAS No: 848616-38-6 Catalog No: AG004WNV MDL No:
Product Description
Catalog Number:
AG004WNV
Chemical Name:
1,3-Benzenediol, 5-chloro-2-[3-(dichloromethylene)hexyl]-
CAS Number:
848616-38-6
Molecular Formula:
C13H15Cl3O2
Molecular Weight:
309.6160
IUPAC Name:
5-chloro-2-[3-(dichloromethylidene)hexyl]benzene-1,3-diol
InChI:
InChI=1S/C13H15Cl3O2/c1-2-3-8(13(15)16)4-5-10-11(17)6-9(14)7-12(10)18/h6-7,17-18H,2-5H2,1H3
InChI Key:
MCESILKHKPMVEI-UHFFFAOYSA-N
SMILES:
CCCC(=C(Cl)Cl)CCc1c(O)cc(cc1O)Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.014g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.611g/mol
Monoisotopic Mass:
308.014g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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