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Home > Fluorides > 1365988-15-3
1365988-15-3 | Benzonitrile, 3-iodo-4-(trifluoromethoxy)-
CAS No: 1365988-15-3 Catalog No: AG001247 MDL No:MFCD08459283
Product Description
Catalog Number:
AG001247
Chemical Name:
Benzonitrile, 3-iodo-4-(trifluoromethoxy)-
CAS Number:
1365988-15-3
Molecular Formula:
C8H3F3INO
Molecular Weight:
313.0152
MDL Number:
MFCD08459283
IUPAC Name:
3-iodo-4-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3F3INO/c9-8(10,11)14-7-2-1-5(4-13)3-6(7)12/h1-3H
InChI Key:
FOIYDIMNEOXGRC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)I)OC(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.921g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.018g/mol
Monoisotopic Mass:
312.921g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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