Home Halogens 1-(3,4-Dichlorophenyl)cyclohexanecarbonitrile

1-(3,4-Dichlorophenyl)cyclohexanecarbonitrile

CAS No.:
162732-99-2
Catalog Number:
AG00AYWU
Molecular Formula:
C13H13Cl2N
Molecular Weight:
254.1550
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$110
- +
5g
98%
In Stock USA
United States
$432
- +
Product Description
Catalog Number:
AG00AYWU
Chemical Name:
1-(3,4-Dichlorophenyl)cyclohexanecarbonitrile
CAS Number:
162732-99-2
Molecular Formula:
C13H13Cl2N
Molecular Weight:
254.1550
MDL Number:
MFCD09743445
IUPAC Name:
1-(3,4-dichlorophenyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C13H13Cl2N/c14-11-5-4-10(8-12(11)15)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChI Key:
QUQZVJXAKWBZEU-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.043g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.154g/mol
Monoisotopic Mass:
253.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties