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119934-12-2 | Bicyclo[1.1.1]pentane, 1-iodo-3-(trifluoromethyl)-
CAS No: 119934-12-2 Catalog No: AG000PV9 MDL No:MFCD30723932
Product Description
Catalog Number:
AG000PV9
Chemical Name:
Bicyclo[1.1.1]pentane, 1-iodo-3-(trifluoromethyl)-
CAS Number:
119934-12-2
Molecular Formula:
C6H6F3I
Molecular Weight:
262.0115
MDL Number:
MFCD30723932
IUPAC Name:
1-iodo-3-(trifluoromethyl)bicyclo[1.1.1]pentane
InChI:
InChI=1S/C6H6F3I/c7-6(8,9)4-1-5(10,2-4)3-4/h1-3H2
InChI Key:
HUDKTQZFLROHKK-UHFFFAOYSA-N
SMILES:
FC(C12CC(C1)(C2)I)(F)F
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.947g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.014g/mol
Monoisotopic Mass:
261.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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