Home Halogens 3-(4-chloropyridin-2-yl)-3-oxopropanenitrile

3-(4-chloropyridin-2-yl)-3-oxopropanenitrile

CAS No.:
1260853-44-8
Catalog Number:
AG01A6NI
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A6NI
Chemical Name:
3-(4-chloropyridin-2-yl)-3-oxopropanenitrile
CAS Number:
1260853-44-8
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD15526742
IUPAC Name:
3-(4-chloropyridin-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H5ClN2O/c9-6-2-4-11-7(5-6)8(12)1-3-10/h2,4-5H,1H2
InChI Key:
MJMKAJXTJVXJTH-UHFFFAOYSA-N
SMILES:
Clc1cc(ncc1)C(=O)CC#N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties