Home Halogens Ethyl 3-(2-bromophenyl)-3-cyanopropanoate

Ethyl 3-(2-bromophenyl)-3-cyanopropanoate

CAS No.:
1864058-19-4
Catalog Number:
AG00I1S8
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00I1S8
Chemical Name:
Ethyl 3-(2-bromophenyl)-3-cyanopropanoate
CAS Number:
1864058-19-4
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD29035423
IUPAC Name:
ethyl 3-(2-bromophenyl)-3-cyanopropanoate
InChI:
InChI=1S/C12H12BrNO2/c1-2-16-12(15)7-9(8-14)10-5-3-4-6-11(10)13/h3-6,9H,2,7H2,1H3
InChI Key:
CJDJLLWZWHPEJK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(c1ccccc1Br)C#N
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties