Home Halogens 5-(tert-Butyl)-2-chlorobenzonitrile

5-(tert-Butyl)-2-chlorobenzonitrile

CAS No.:
1242339-59-8
Catalog Number:
AG01FEBZ
Molecular Formula:
C11H12ClN
Molecular Weight:
193.6727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
94%
1 week
United States
$419
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Product Description
Catalog Number:
AG01FEBZ
Chemical Name:
5-(tert-Butyl)-2-chlorobenzonitrile
CAS Number:
1242339-59-8
Molecular Formula:
C11H12ClN
Molecular Weight:
193.6727
MDL Number:
MFCD16817599
IUPAC Name:
5-tert-butyl-2-chlorobenzonitrile
InChI:
InChI=1S/C11H12ClN/c1-11(2,3)9-4-5-10(12)8(6-9)7-13/h4-6H,1-3H3
InChI Key:
SZOZKILEXPVNTF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Cl)C(C)(C)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.066g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.674g/mol
Monoisotopic Mass:
193.066g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties