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10224-18-7,MFCD10703400
Catalog No.:AA0006XL
10224-18-7 | 2,2-Bis(4-isocyanatophenyl)hexafluoropropane
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1g
>98.0%(GC)
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Technical Information
Catalog Number:
AA0006XL
Chemical Name:
2,2-Bis(4-isocyanatophenyl)hexafluoropropane
CAS Number:
10224-18-7
Molecular Formula:
C17H8F6N2O2
Molecular Weight:
386.2480
MDL Number:
MFCD10703400
IUPAC Name:
1-[1,1,1,3,3,3-hexafluoro-2-(4-isocyanatophenyl)propan-2-yl]-4-isocyanatobenzene
InChI:
InChI=1S/C17H8F6N2O2/c18-16(19,20)15(17(21,22)23,11-1-5-13(6-2-11)24-9-26)12-3-7-14(8-4-12)25-10-27/h1-8H
InChI Key:
QIPLQPPNURSGKC-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)N=C=O
Properties
Computed Properties
 
Complexity:
550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.049g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.253g/mol
Monoisotopic Mass:
386.049g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5  

Synonyms
 
2,2-Bis(4-isocyanatophenyl)hexafluoropropane 
10224-18-7 
ZX-AP005801 
ANW-14674 
MFCD00142759 
PC3481 
AKOS015853720 
VZ22007 
CC-06413 
2,2-Bis(isocyanotophenyl)hexafluoropropane 
DB-019601 
TR-000579 
1-[1,1,1,3,3,3-hexafluoro-2-(4-isocyanatophenyl)propan-2-yl]-4-isocyanatobenzene 
FT-0609179 
2,2-bis-(4-isocyanatophenyl)hexafluoropropane 
C-21444 
4,4'-(Hexafluoroisopropylidene)bis(isocyanatobenzene) 
I14-38438 
(Hexafluoroisopropylidene)bis(4,1-phenylene)diisocyanate 
4,4'-(perfluoropropane-2,2-diyl)bis(isocyanatobenzene) 
Benzene,1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[4-isocyanato-(9ci) 
2,2'-Bis(trifluoromethyl)benzidine 
CID2736044 
Benzene,1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[4-isocyanato- (9CI) 
B1509 
1-[1,1,1,3,3,3-hexafluoro-2-(4-isocyanatophenyl)propan-2-yl]-4-isocyanato-benzene 
341-58-2 
ACMC-1BP0D 
AC1MC4P9 
SCHEMBL940009 
CTK4A0849 
DTXSID10371096 
ZINC2512301 
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