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Home > Fluorides > 139072-17-6
139072-17-6 | Benzene, 2-fluoro-4-iodo-1-isocyanato-
CAS No: 139072-17-6 Catalog No: AG001A5H MDL No:
Product Description
Catalog Number:
AG001A5H
Chemical Name:
Benzene, 2-fluoro-4-iodo-1-isocyanato-
CAS Number:
139072-17-6
Molecular Formula:
C7H3FINO
Molecular Weight:
263.0077
IUPAC Name:
2-fluoro-4-iodo-1-isocyanatobenzene
InChI:
InChI=1S/C7H3FINO/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H
InChI Key:
VBRWSMMFMURCHF-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1F)I
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.924g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.01g/mol
Monoisotopic Mass:
262.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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