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Home > Fluorides > 137553-42-5
137553-42-5 | Benzonitrile, 2-fluoro-4-iodo-
CAS No: 137553-42-5 Catalog No: AG0013JP MDL No:MFCD03094172
Product Description
Catalog Number:
AG0013JP
Chemical Name:
Benzonitrile, 2-fluoro-4-iodo-
CAS Number:
137553-42-5
Molecular Formula:
C7H3FIN
Molecular Weight:
247.0083
MDL Number:
MFCD03094172
IUPAC Name:
2-fluoro-4-iodobenzonitrile
InChI:
InChI=1S/C7H3FIN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H
InChI Key:
WHQVXHBSTRFRCE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)I
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.929g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.011g/mol
Monoisotopic Mass:
246.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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