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1242339-59-8 | 5-tert-Butyl-2-chlorobenzonitrile
CAS No: 1242339-59-8 Catalog No: AG01FEBZ MDL No:MFCD16817599
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
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