Home Halogens 3-(5-chloropyridin-2-yl)-3-oxopropanenitrile

3-(5-chloropyridin-2-yl)-3-oxopropanenitrile

CAS No.:
1107053-87-1
Catalog Number:
AG00ISN0
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
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Product Description
Catalog Number:
AG00ISN0
Chemical Name:
3-(5-chloropyridin-2-yl)-3-oxopropanenitrile
CAS Number:
1107053-87-1
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD15526709
IUPAC Name:
3-(5-chloropyridin-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H5ClN2O/c9-6-1-2-7(11-5-6)8(12)3-4-10/h1-2,5H,3H2
InChI Key:
OKGMUQGXZMBDMS-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cn1)Cl
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