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Home Other Building Blocks Benzene, 1,2,3,4,5-pentafluoro-6-isocyanato-

Benzene, 1,2,3,4,5-pentafluoro-6-isocyanato-

CAS No.:
1591-95-3
Catalog Number:
AG001QHB
Molecular Formula:
C7F5NO
Molecular Weight:
209.0730
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Product Description
Catalog Number:
AG001QHB
Chemical Name:
Benzene, 1,2,3,4,5-pentafluoro-6-isocyanato-
CAS Number:
1591-95-3
Molecular Formula:
C7F5NO
Molecular Weight:
209.0730
MDL Number:
MFCD01863699
IUPAC Name:
1,2,3,4,5-pentafluoro-6-isocyanatobenzene
InChI:
InChI=1S/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
InChI Key:
QXLDBWRLZDBVGF-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(F)c(F)c(c(c1F)F)F
EC Number:
216-470-7
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.99g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.075g/mol
Monoisotopic Mass:
208.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Reactions in gas phase and condensed phase C6F5X (X = NCO, CH2CN) triggered by low energy electrons. Physical chemistry chemical physics : PCCP 20090714
Properties