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Home > Fluorides > 101066-87-9
101066-87-9 | Benzonitrile, 4-iodo-2-(trifluoromethyl)-
CAS No: 101066-87-9 Catalog No: AG0003NI MDL No:MFCD08458091
Product Description
Catalog Number:
AG0003NI
Chemical Name:
Benzonitrile, 4-iodo-2-(trifluoromethyl)-
CAS Number:
101066-87-9
Molecular Formula:
C8H3F3IN
Molecular Weight:
297.0158
MDL Number:
MFCD08458091
IUPAC Name:
4-iodo-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3IN/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-3H
InChI Key:
RBRTXKYFMXVIER-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)I
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.926g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.019g/mol
Monoisotopic Mass:
296.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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