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113402-77-0 | Propane, 3-chloro-1,1,1-trifluoro-2-iodo-
CAS No: 113402-77-0 Catalog No: AG0008GI MDL No:MFCD01862016
Product Description
Catalog Number:
AG0008GI
Chemical Name:
Propane, 3-chloro-1,1,1-trifluoro-2-iodo-
CAS Number:
113402-77-0
Molecular Formula:
C3H3ClF3I
Molecular Weight:
258.4086
MDL Number:
MFCD01862016
IUPAC Name:
3-chloro-1,1,1-trifluoro-2-iodopropane
InChI:
InChI=1S/C3H3ClF3I/c4-1-2(8)3(5,6)7/h2H,1H2
InChI Key:
VTXHEMNTBOVTHP-UHFFFAOYSA-N
SMILES:
ClCC(C(F)(F)F)I
Properties
Complexity:
71.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.892g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.407g/mol
Monoisotopic Mass:
257.892g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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