Home Halogens 4-[bis(2-chloroethyl)amino]benzonitrile

4-[bis(2-chloroethyl)amino]benzonitrile

CAS No.:
71601-35-9
Catalog Number:
AG019P40
Molecular Formula:
C11H12Cl2N2
Molecular Weight:
243.1324
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Product Description
Catalog Number:
AG019P40
Chemical Name:
4-[bis(2-chloroethyl)amino]benzonitrile
CAS Number:
71601-35-9
Molecular Formula:
C11H12Cl2N2
Molecular Weight:
243.1324
MDL Number:
MFCD00181241
IUPAC Name:
4-[bis(2-chloroethyl)amino]benzonitrile
InChI:
InChI=1S/C11H12Cl2N2/c12-5-7-15(8-6-13)11-3-1-10(9-14)2-4-11/h1-4H,5-8H2
InChI Key:
VDPIEHNUNDVINZ-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C#N)CCCl
NSC Number:
294982
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.038g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.131g/mol
Monoisotopic Mass:
242.038g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties