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18127-07-6 | Pentalene, octahydro-1-(trichloromethyl)-
CAS No: 18127-07-6 Catalog No: AG0022ST MDL No:
Product Description
Catalog Number:
AG0022ST
Chemical Name:
Pentalene, octahydro-1-(trichloromethyl)-
CAS Number:
18127-07-6
Molecular Formula:
C9H13Cl3
Molecular Weight:
227.5585
IUPAC Name:
1-(trichloromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
InChI:
InChI=1S/C9H13Cl3/c10-9(11,12)8-5-4-6-2-1-3-7(6)8/h6-8H,1-5H2
InChI Key:
ALVRJPFFWYTSIS-UHFFFAOYSA-N
SMILES:
ClC(C1CCC2C1CCC2)(Cl)Cl
EC Number:
242-017-8
NSC Number:
79878
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.553g/mol
Monoisotopic Mass:
226.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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