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89877-31-6 | 1H-Indene, 2,3-dihydro-2-iodo-1-isocyanato-, trans-
CAS No: 89877-31-6 Catalog No: AG006KO1 MDL No:
Product Description
Catalog Number:
AG006KO1
Chemical Name:
1H-Indene, 2,3-dihydro-2-iodo-1-isocyanato-, trans-
CAS Number:
89877-31-6
Molecular Formula:
C10H8INO
Molecular Weight:
285.0811
IUPAC Name:
2-iodo-1-isocyanato-2,3-dihydro-1H-indene
InChI:
InChI=1S/C10H8INO/c11-9-5-7-3-1-2-4-8(7)10(9)12-6-13/h1-4,9-10H,5H2
InChI Key:
UJDCOQMKKYQTKH-UHFFFAOYSA-N
SMILES:
O=C=N[C@H]1[C@H](I)Cc2c1cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.084g/mol
Monoisotopic Mass:
284.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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