Home Halogens 1-(2,4-dichlorophenyl)cyclohexane-1-carbonitrile

1-(2,4-dichlorophenyl)cyclohexane-1-carbonitrile

CAS No.:
1037130-92-9
Catalog Number:
AG01C27K
Molecular Formula:
C13H13Cl2N
Molecular Weight:
254.1550
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Product Description
Catalog Number:
AG01C27K
Chemical Name:
1-(2,4-dichlorophenyl)cyclohexane-1-carbonitrile
CAS Number:
1037130-92-9
Molecular Formula:
C13H13Cl2N
Molecular Weight:
254.1550
MDL Number:
MFCD11036796
IUPAC Name:
1-(2,4-dichlorophenyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C13H13Cl2N/c14-10-4-5-11(12(15)8-10)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChI Key:
QJUDXIZBRXRXCQ-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)c1ccc(cc1Cl)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