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10224-18-7 | Benzene, 1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[4-isocyanato-
CAS No: 10224-18-7 Catalog No: AG00070D MDL No:MFCD00142759
Product Description
Catalog Number:
AG00070D
Chemical Name:
Benzene, 1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[4-isocyanato-
CAS Number:
10224-18-7
Molecular Formula:
C17H8F6N2O2
Molecular Weight:
386.2480
MDL Number:
MFCD00142759
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
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
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