Home Halogens 2-(4-chlorophenyl)-4,4-dimethyl-3-oxopentanenitrile

2-(4-chlorophenyl)-4,4-dimethyl-3-oxopentanenitrile

CAS No.:
88485-83-0
Catalog Number:
AG01BI1B
Molecular Formula:
C13H14ClNO
Molecular Weight:
235.7094
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Product Description
Catalog Number:
AG01BI1B
Chemical Name:
2-(4-chlorophenyl)-4,4-dimethyl-3-oxopentanenitrile
CAS Number:
88485-83-0
Molecular Formula:
C13H14ClNO
Molecular Weight:
235.7094
MDL Number:
MFCD11208643
IUPAC Name:
2-(4-chlorophenyl)-4,4-dimethyl-3-oxopentanenitrile
InChI:
InChI=1S/C13H14ClNO/c1-13(2,3)12(16)11(8-15)9-4-6-10(14)7-5-9/h4-7,11H,1-3H3
InChI Key:
ZJAKCKIJOPNELJ-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)C(C)(C)C)c1ccc(cc1)Cl
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.711g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties