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115565-70-3 | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,4,5,6,7,7-hexachloro-, (1R,2S,4S)-
CAS No: 115565-70-3 Catalog No: AG000G6R MDL No:
Product Description
Catalog Number:
AG000G6R
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,4,5,6,7,7-hexachloro-, (1R,2S,4S)-
CAS Number:
115565-70-3
Molecular Formula:
C8H4Cl6O2
Molecular Weight:
344.8342
IUPAC Name:
(1R,2S,4S)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C8H4Cl6O2/c9-3-4(10)7(12)2(5(15)16)1-6(3,11)8(7,13)14/h2H,1H2,(H,15,16)/t2-,6-,7+/m0/s1
InChI Key:
UZNJCXPVWJLOQY-CFHWFIACSA-N
SMILES:
OC(=O)[C@@H]1C[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
343.831g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.818g/mol
Monoisotopic Mass:
341.834g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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