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68099-35-4 | 2,5-Dichloro-3-(2,5-dichlorophenyl)-7-oxabicyclo(4.1.0)hepta-2,4-diene
CAS No: 68099-35-4 Catalog No: AG006FZJ MDL No:
Product Description
Catalog Number:
AG006FZJ
Chemical Name:
2,5-Dichloro-3-(2,5-dichlorophenyl)-7-oxabicyclo(4.1.0)hepta-2,4-diene
CAS Number:
68099-35-4
Molecular Formula:
C12H6Cl4O
Molecular Weight:
307.9874
IUPAC Name:
(1S,6R)-2,5-dichloro-3-(2,5-dichlorophenyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
InChI:
InChI=1S/C12H6Cl4O/c13-5-1-2-8(14)6(3-5)7-4-9(15)11-12(17-11)10(7)16/h1-4,11-12H/t11-,12+/m0/s1
InChI Key:
HUWUGZREAZTGIP-NWDGAFQWSA-N
SMILES:
ClC1=CC(=C(C2C1O2)Cl)c1cc(Cl)ccc1Cl
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
307.914g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.979g/mol
Monoisotopic Mass:
305.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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