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118991-07-4 | Ethane, 1-iodo-2-isocyanato-
CAS No: 118991-07-4 Catalog No: AG0077YB MDL No:MFCD00015792
Product Description
Catalog Number:
AG0077YB
Chemical Name:
Ethane, 1-iodo-2-isocyanato-
CAS Number:
118991-07-4
Molecular Formula:
C3H4INO
Molecular Weight:
196.9744
MDL Number:
MFCD00015792
IUPAC Name:
1-iodo-2-isocyanatoethane
InChI:
InChI=1S/C3H4INO/c4-1-2-5-3-6/h1-2H2
InChI Key:
AXVLLOUVHQNLCY-UHFFFAOYSA-N
SMILES:
ICCN=C=O
Properties
Complexity:
67.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.934g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.975g/mol
Monoisotopic Mass:
196.934g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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