Home Halogens 4-(3,4-dichlorophenyl)butanenitrile

4-(3,4-dichlorophenyl)butanenitrile

CAS No.:
39960-06-0
Catalog Number:
AG01AC2B
Molecular Formula:
C10H9Cl2N
Molecular Weight:
214.0912
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Product Description
Catalog Number:
AG01AC2B
Chemical Name:
4-(3,4-dichlorophenyl)butanenitrile
CAS Number:
39960-06-0
Molecular Formula:
C10H9Cl2N
Molecular Weight:
214.0912
MDL Number:
MFCD01846420
IUPAC Name:
4-(3,4-dichlorophenyl)butanenitrile
InChI:
InChI=1S/C10H9Cl2N/c11-9-5-4-8(7-10(9)12)3-1-2-6-13/h4-5,7H,1-3H2
InChI Key:
YZGXEAKPVOFBSJ-UHFFFAOYSA-N
SMILES:
N#CCCCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.011g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.089g/mol
Monoisotopic Mass:
213.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties