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114646-83-2 | Bicyclo[2.2.1]hept-2-ene, 1,2,3,4,7,7-hexachloro-5-(phenoxymethyl)-
CAS No: 114646-83-2 Catalog No: AG000EX6 MDL No:
Product Description
Catalog Number:
AG000EX6
Chemical Name:
Bicyclo[2.2.1]hept-2-ene, 1,2,3,4,7,7-hexachloro-5-(phenoxymethyl)-
CAS Number:
114646-83-2
Molecular Formula:
C14H10Cl6O
Molecular Weight:
406.9466
IUPAC Name:
1,2,3,4,7,7-hexachloro-5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C14H10Cl6O/c15-10-11(16)13(18)8(6-12(10,17)14(13,19)20)7-21-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChI Key:
OXTRYWQSTNQAIF-UHFFFAOYSA-N
SMILES:
ClC1=C(Cl)C2(C(C1(Cl)C(C2)COc1ccccc1)(Cl)Cl)Cl
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.883g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.933g/mol
Monoisotopic Mass:
403.886g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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