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15890-54-7 | Benzene, 1,3,5-trichloro-2-(2-propen-1-yloxy)-
CAS No: 15890-54-7 Catalog No: AG001QZR MDL No:
Product Description
Catalog Number:
AG001QZR
Chemical Name:
Benzene, 1,3,5-trichloro-2-(2-propen-1-yloxy)-
CAS Number:
15890-54-7
Molecular Formula:
C9H7Cl3O
Molecular Weight:
237.5103
IUPAC Name:
1,3,5-trichloro-2-prop-2-enoxybenzene
InChI:
InChI=1S/C9H7Cl3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2
InChI Key:
ZQGMMQSTKGOKGH-UHFFFAOYSA-N
SMILES:
C=CCOc1c(Cl)cc(cc1Cl)Cl
NSC Number:
115072
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.956g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.504g/mol
Monoisotopic Mass:
235.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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