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Home Other Building Blocks 3-Chloropropyl isocyanate

3-Chloropropyl isocyanate

CAS No.:
13010-19-0
Catalog Number:
AG000TZW
Molecular Formula:
C4H6ClNO
Molecular Weight:
119.5495
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$60
- +
5g
95%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG000TZW
Chemical Name:
3-Chloropropyl isocyanate
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
Properties