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23138-56-9 | Benzene, 1-iodo-3-isocyanato-
CAS No: 23138-56-9 Catalog No: AG002MB5 MDL No:
Product Description
Catalog Number:
AG002MB5
Chemical Name:
Benzene, 1-iodo-3-isocyanato-
CAS Number:
23138-56-9
Molecular Formula:
C7H4INO
Molecular Weight:
245.0172
IUPAC Name:
1-iodo-3-isocyanatobenzene
InChI:
InChI=1S/C7H4INO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChI Key:
LZSQANBVKPXBLO-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)I
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.934g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.019g/mol
Monoisotopic Mass:
244.934g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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