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4461-30-7 | CHLOROACETYL ISOCYANATE
CAS No: 4461-30-7 Catalog No: AG003OT4 MDL No:MFCD00002034
Product Description
Catalog Number:
AG003OT4
Chemical Name:
CHLOROACETYL ISOCYANATE
CAS Number:
4461-30-7
MDL Number:
MFCD00002034
IUPAC Name:
2-chloroacetyl isocyanate
InChI:
InChI=1S/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2
InChI Key:
MOVMEFHWBOWMFU-UHFFFAOYSA-N
EC Number:
224-715-4
UNII:
H5WF2AMH7J
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.977g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.504g/mol
Monoisotopic Mass:
118.977g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis, antiproliferative activity evaluation and structure-activity relationships of novel aromatic urea and amide analogues of N-phenyl-N'-(2-chloroethyl)ureas. | European journal of medicinal chemistry 20100701 |
| Conformational analysis and comparison between theoretical and experimental vibrational spectra for chloroacetyl isocyanate. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030115 |
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