Home Halogens 3-(2,6-dichlorophenyl)propanenitrile

3-(2,6-dichlorophenyl)propanenitrile

CAS No.:
61698-06-4
Catalog Number:
AG01AHJK
Molecular Formula:
C9H7Cl2N
Molecular Weight:
200.0646
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Product Description
Catalog Number:
AG01AHJK
Chemical Name:
3-(2,6-dichlorophenyl)propanenitrile
CAS Number:
61698-06-4
Molecular Formula:
C9H7Cl2N
Molecular Weight:
200.0646
MDL Number:
MFCD09744610
IUPAC Name:
3-(2,6-dichlorophenyl)propanenitrile
InChI:
InChI=1S/C9H7Cl2N/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-5H,2-3H2
InChI Key:
OKJBFZSVXLUOBS-UHFFFAOYSA-N
SMILES:
N#CCCc1c(Cl)cccc1Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.996g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.062g/mol
Monoisotopic Mass:
198.996g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties