Home Other Building Blocks (4-Chloro-phenyl)-propynoic acid ethyl ester

(4-Chloro-phenyl)-propynoic acid ethyl ester

CAS No.:
20026-96-4
Catalog Number:
AG002CMN
Molecular Formula:
C11H9ClO2
Molecular Weight:
208.6410
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$187
- +
5g
95%
1 week
United States
$485
- +
25g
95%
1 week
United States
$1380
- +
Product Description
Catalog Number:
AG002CMN
Chemical Name:
(4-Chloro-phenyl)-propynoic acid ethyl ester
CAS Number:
20026-96-4
Molecular Formula:
C11H9ClO2
Molecular Weight:
208.6410
MDL Number:
MFCD00456510
IUPAC Name:
ethyl 3-(4-chlorophenyl)prop-2-ynoate
InChI:
InChI=1S/C11H9ClO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2H2,1H3
InChI Key:
PSAMQLWFJMRMOG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#Cc1ccc(cc1)Cl
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.029g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.641g/mol
Monoisotopic Mass:
208.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties