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455-13-0 | 4-Iodobenzotrifluoride
CAS No: 455-13-0 Catalog No: AG00342V MDL No:MFCD00039398
Product Description
Catalog Number:
AG00342V
Chemical Name:
4-Iodobenzotrifluoride
CAS Number:
455-13-0
Molecular Formula:
C7H4F3I
Molecular Weight:
272.0063
MDL Number:
MFCD00039398
IUPAC Name:
1-iodo-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChI Key:
SKGRFPGOGCHDPC-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)I)(F)F
EC Number:
207-234-4
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.931g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.009g/mol
Monoisotopic Mass:
271.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Formation of self-assembled monolayers of π-conjugated molecules on TiO2 surfaces by thermal grafting of aryl and benzyl halides. | Langmuir : the ACS journal of surfaces and colloids 20120501 |
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