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Home Other Building Blocks 2-Chloroethyl acetate

2-Chloroethyl acetate

CAS No.:
542-58-5
Catalog Number:
AG003NMJ
Molecular Formula:
C4H7ClO2
Molecular Weight:
122.5502
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$221
- +
5g
1 week
United States
$862
- +
10g
1 week
United States
$1521
- +
25g
1 week
United States
$3373
- +
Product Description
Catalog Number:
AG003NMJ
Chemical Name:
2-Chloroethyl acetate
CAS Number:
542-58-5
Molecular Formula:
C4H7ClO2
Molecular Weight:
122.5502
MDL Number:
MFCD00018963
IUPAC Name:
2-chloroethyl acetate
InChI:
InChI=1S/C4H7ClO2/c1-4(6)7-3-2-5/h2-3H2,1H3
InChI Key:
VIRWKAJWTKAIMA-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCl
EC Number:
208-820-2
NSC Number:
77374
Properties
Complexity:
62.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.013g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.548g/mol
Monoisotopic Mass:
122.013g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis, spectral analysis and in vitro microbiological evaluation of 3-(3-alkyl-2,6-diarylpiperin-4-ylidene)-2-thioxoimidazolidin-4-ones as a new class of antibacterial and antifungal agents. Bioorganic & medicinal chemistry letters 20100115
Properties