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13858-09-8 | Chlorine isocyanate (Cl(NCO)) (7CI,8CI,9CI)
CAS No: 13858-09-8 Catalog No: AG0018SG MDL No:
Product Description
Catalog Number:
AG0018SG
Chemical Name:
Chlorine isocyanate (Cl(NCO)) (7CI,8CI,9CI)
CAS Number:
13858-09-8
Molecular Formula:
CClNO
Molecular Weight:
77.4698
IUPAC Name:
chloroimino(oxo)methane
InChI:
InChI=1S/CClNO/c2-3-1-4
InChI Key:
IDKXMGZRWKCTGA-UHFFFAOYSA-N
SMILES:
ClN=C=O
Properties
Complexity:
46
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
76.967g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
77.467g/mol
Monoisotopic Mass:
76.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| The heat of formation of chlorine-isocyanate and the relative stability of isoelectronic molecules: an experimental and theoretical study. | The Journal of chemical physics 20060628 |
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