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64628-78-0 | Benzoyl isocyanate, 2-iodo-
CAS No: 64628-78-0 Catalog No: AG006S5M MDL No:
Product Description
Catalog Number:
AG006S5M
Chemical Name:
Benzoyl isocyanate, 2-iodo-
CAS Number:
64628-78-0
Molecular Formula:
C8H4INO2
Molecular Weight:
273.0273
IUPAC Name:
2-iodobenzoyl isocyanate
InChI:
InChI=1S/C8H4INO2/c9-7-4-2-1-3-6(7)8(12)10-5-11/h1-4H
InChI Key:
BNCPQMUBJJUOHP-UHFFFAOYSA-N
SMILES:
O=C=NC(=O)c1ccccc1I
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.029g/mol
Monoisotopic Mass:
272.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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