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81262-27-3 | 1,2,3,4,7,7-hexachloro-5-[(4-chlorophenoxy)methyl]bicyclo[2.2.1]hept-2-ene
CAS No: 81262-27-3 Catalog No: AG00545Y MDL No:
Product Description
Catalog Number:
AG00545Y
Chemical Name:
1,2,3,4,7,7-hexachloro-5-[(4-chlorophenoxy)methyl]bicyclo[2.2.1]hept-2-ene
CAS Number:
81262-27-3
Molecular Formula:
C14H9Cl7O
Molecular Weight:
441.3917
IUPAC Name:
1,2,3,4,7,7-hexachloro-5-[(4-chlorophenoxy)methyl]bicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C14H9Cl7O/c15-8-1-3-9(4-2-8)22-6-7-5-12(18)10(16)11(17)13(7,19)14(12,20)21/h1-4,7H,5-6H2
InChI Key:
GRPJFZFIUCJBJN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCC1CC2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl
NSC Number:
152799
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.844g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.375g/mol
Monoisotopic Mass:
437.847g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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