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13010-19-0 | Propane, 1-chloro-3-isocyanato-
CAS No: 13010-19-0 Catalog No: AG000TZW MDL No:MFCD00010384
Product Description
Catalog Number:
AG000TZW
Chemical Name:
Propane, 1-chloro-3-isocyanato-
CAS Number:
13010-19-0
Molecular Formula:
C4H6ClNO
Molecular Weight:
119.5495
MDL Number:
MFCD00010384
IUPAC Name:
1-chloro-3-isocyanatopropane
InChI:
InChI=1S/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2
InChI Key:
RQAVSDINDRNIKL-UHFFFAOYSA-N
SMILES:
ClCCCN=C=O
Properties
Complexity:
77.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.548g/mol
Monoisotopic Mass:
119.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Design, synthesis, biological evaluation, and structure-activity relationships of substituted phenyl 4-(2-oxoimidazolidin-1-yl)benzenesulfonates as new tubulin inhibitors mimicking combretastatin A-4. | Journal of medicinal chemistry 20110714 |
| 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 |
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