Home Halogens Ethyl 4-(3-chloro-4-cyanophenyl)benzoate

Ethyl 4-(3-chloro-4-cyanophenyl)benzoate

CAS No.:
1355248-20-2
Catalog Number:
AG007ZJ7
Molecular Formula:
C16H12ClNO2
Molecular Weight:
285.7250
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG007ZJ7
Chemical Name:
Ethyl 4-(3-chloro-4-cyanophenyl)benzoate
CAS Number:
1355248-20-2
Molecular Formula:
C16H12ClNO2
Molecular Weight:
285.7250
MDL Number:
MFCD21333006
IUPAC Name:
ethyl 4-(3-chloro-4-cyanophenyl)benzoate
InChI:
InChI=1S/C16H12ClNO2/c1-2-20-16(19)12-5-3-11(4-6-12)13-7-8-14(10-18)15(17)9-13/h3-9H,2H2,1H3
InChI Key:
KZGJDGVIUOZFLY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C#N
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.056g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.727g/mol
Monoisotopic Mass:
285.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties