Home Halogens 2-(5-chloroquinolin-8-yl)acetonitrile

2-(5-chloroquinolin-8-yl)acetonitrile

CAS No.:
1306606-40-5
Catalog Number:
AG01AHUD
Molecular Formula:
C11H7ClN2
Molecular Weight:
202.6397
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Product Description
Catalog Number:
AG01AHUD
Chemical Name:
2-(5-chloroquinolin-8-yl)acetonitrile
CAS Number:
1306606-40-5
Molecular Formula:
C11H7ClN2
Molecular Weight:
202.6397
MDL Number:
MFCD18838716
IUPAC Name:
2-(5-chloroquinolin-8-yl)acetonitrile
InChI:
InChI=1S/C11H7ClN2/c12-10-4-3-8(5-6-13)11-9(10)2-1-7-14-11/h1-4,7H,5H2
InChI Key:
PTDNAOURFVQYHA-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c2c1nccc2)Cl
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.641g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties