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113402-77-0,MFCD01862016
Catalog No.:AA0008DQ
113402-77-0 | 3-Chloro-2-iodo-1,1,1-trifluoropropane
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250mg
1 week  
$43.00   $30.00
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1g
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Technical Information
Catalog Number:
AA0008DQ
Chemical Name:
3-Chloro-2-iodo-1,1,1-trifluoropropane
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
Computed 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  

Synonyms
 
113402-77-0 
3-chloro-1,1,1-trifluoro-2-iodopropane 
ZX-AP006021 
9019AC 
MFCD01862016 
PC1268 
SBB102064 
AKOS015850582 
FCH1322785 
RTR-002596 
TR-002596 
FT-0676802 
3-Chloro-2-iodo-1,1,1-trifluoropropane 
Propane, 3-chloro-1,1,1-trifluoro-2-iodo- 
A803047 
3-chloranyl-1,1,1-tris(fluoranyl)-2-iodanyl-propane 
I14-28748 
CID2773796 
3-chloro-1,1,1-trifluoro-2-iodo-propane 
Propane,3-chloro-1,1,1-trifluoro-2-iodo- 
ACMC-1BTMT 
AC1MCNH0 
C3H3ClF3I 
SCHEMBL10719797 
CTK4A8296 
DTXSID20378718 
Literature
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